├── .github └── workflows │ └── main.yml ├── .gitignore ├── .pre-commit-config.yaml ├── LICENSE ├── README.md ├── aifdictionary.json ├── build.ps1 ├── example.aif ├── examples ├── Default Dataset.csv ├── Default Dataset2.csv ├── NK_DUT-6_LP_N2_114PKT.aif ├── compareaif.py ├── exampleplot.pdf ├── plotisothermsfromaif.ipynb └── screenshot.png ├── parsers ├── BEL.py ├── BEL_csv.py ├── NISTjson.py ├── __init__.py ├── micromeritics.py └── quantachrome.py ├── plotaif.py ├── raw2aif.py ├── raw2aif_gui.py ├── raw2aif_gui.spec ├── requirements.txt ├── screenshots ├── screenshot_1.png ├── screenshot_2.png └── screenshot_3.png └── test ├── __init__.py ├── conftest.py ├── database ├── Ar_test │ ├── 1.DAT │ └── 1.aif_tst ├── DMOF │ ├── ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.aif_tst │ ├── ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.csv │ ├── ASch082C_Zntmbdcdabco_C2H6_Exp190819a.aif_tst │ ├── ASch082C_Zntmbdcdabco_C2H6_Exp190819a.csv │ ├── Asch065B_C2H6_298K_Exp190327a.aif_tst │ └── Asch065B_C2H6_298K_Exp190327a.csv ├── DUT-13 │ ├── BF-010-DUT-13-CH4-190K-run1-export.aif_tst │ ├── BF-010-DUT-13-CH4-190K-run1-export.csv │ ├── BF001 (Raw Analysis Data).aif_tst │ ├── BF001 (Raw Analysis Data).txt │ ├── BF001(Isotherm).txt │ ├── BF010_DUT-13_CH4_111K.DAT │ ├── BF010_DUT-13_CH4_111K.aif_tst │ ├── BF010_DUT-13_CH4_111K_run2.DAT │ └── BF010_DUT-13_CH4_111K_run2.aif_tst ├── DUT-23 │ ├── NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).aif_tst │ └── NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).txt ├── DUT-32 │ ├── RGE-343-DUT32-7dCO2_Nitrogen(BelMax).aif_tst │ └── RGE-343-DUT32-7dCO2_Nitrogen(BelMax).csv ├── DUT-49 │ ├── DUT-49-SKDM017_SCD5dEtOH+act150C22h_N277K_run1.DAT │ ├── DUT-49-SKDM017_SCD5dEtOH+act150C22h_N277K_run1.aif_tst │ ├── DUT-49-SKDM019_SCDEtOH_Act.150C_Ar_87K.DAT │ ├── DUT-49-SKDM019_SCDEtOH_Act.150C_Ar_87K.aif_tst │ ├── DUT-49_nbutane_273K_viele_Punkte.DAT │ ├── DUT-49_nbutane_273K_viele_Punkte.aif_tst │ ├── DUT-49_nbutane_298K_viele_Punkte_hohe_masse.DAT │ └── DUT-49_nbutane_298K_viele_Punkte_hohe_masse.aif_tst ├── DUT-6 │ ├── NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).aif_tst │ └── NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).txt ├── DUT-60 │ ├── ih_DUT-60_183b (Isotherm).txt │ ├── ih_DUT-60_183b (Raw Analysis Data).aif_tst │ └── ih_DUT-60_183b (Raw Analysis Data).txt ├── DUT-67 │ ├── DUT-67-N2_77K.DAT │ ├── DUT-67-N2_77K.aif_tst │ ├── DUT-67_H2O_298K.DAT │ ├── DUT-67_H2O_298K.aif_tst │ ├── DUT67_1_Garching_DCM_298K.DAT │ ├── DUT67_1_Garching_DCM_298K.aif_tst │ ├── DUT67_1_Garching_EtOH_298K.DAT │ ├── DUT67_1_Garching_EtOH_298K.aif_tst │ ├── DUT67_1_Garching_MeOH_298K.DAT │ ├── DUT67_1_Garching_MeOH_298K.aif_tst │ ├── DUT67_1_Garching_acetone_298K.DAT │ ├── DUT67_1_Garching_acetone_298K.aif_tst │ ├── DUT67_1_Garching_hexane_298K.DAT │ ├── DUT67_1_Garching_hexane_298K.aif_tst │ ├── DUT67_1_Garching_isopropanol_298K.DAT │ ├── DUT67_1_Garching_isopropanol_298K.aif_tst │ ├── DUT67_1_Garching_toluol_298K.DAT │ ├── DUT67_1_Garching_toluol_298K.aif_tst │ ├── DUT67_1_Garching_wasser_298K.DAT │ └── DUT67_1_Garching_wasser_298K.aif_tst ├── DUT-75 │ ├── US_540_DUT75_N2 (Isotherm).txt │ ├── US_540_DUT75_N2 (Raw Analysis Data).aif_tst │ └── US_540_DUT75_N2 (Raw Analysis Data).txt ├── DUT-8 │ ├── foo.bar.html │ ├── la-133_dut-8_zn_isp_cp_etoh_298k.DAT │ └── la-133_dut-8_zn_isp_cp_etoh_298k.aif_tst ├── NIST │ ├── 10.1021Jp400480q.Isotherm2.aif_tst │ └── 10.1021Jp400480q.Isotherm2.json ├── NovaWin │ ├── RE-22 (Raw Analysis Data).aif_tst │ ├── RE-22 (Raw Analysis Data).txt │ ├── test.aif_tst │ └── test.txt ├── bel │ ├── Sample_C.xls │ ├── Sample_D.xls │ ├── Sample_E.DAT │ └── Sample_E.aif_tst ├── micromeritics │ ├── Sample_A.aif_tst │ ├── Sample_A.xls │ ├── Sample_B.xls │ ├── Sample_C.aif_tst │ ├── Sample_C.xls │ ├── Sample_D.aif_tst │ ├── Sample_D.xls │ ├── Sample_E.aif_tst │ ├── Sample_E.xls │ ├── Sample_F.aif_tst │ ├── Sample_F.xls │ ├── Sample_G.aif_tst │ ├── Sample_G.xls │ ├── Sample_H.aif_tst │ ├── Sample_H.xls │ ├── Sample_I.aif_tst │ ├── Sample_I.xls │ ├── Sample_J.aif_tst │ ├── Sample_J.xls │ ├── Sample_K.aif_tst │ ├── Sample_K.xls │ ├── Sample_L.aif_tst │ ├── Sample_L.xls │ ├── Sample_M.aif_tst │ ├── Sample_M.xls │ ├── Sample_N.aif_tst │ └── Sample_N.xls └── problems │ ├── CEP 3xx-2-B 120529.DAT │ ├── IS217C-C2H2-298K.csv │ └── IS217C-C2H2-298K.txt └── test_parsers.py /.github/workflows/main.yml: -------------------------------------------------------------------------------- 1 | # This is a basic workflow to help you get started with Actions 2 | 3 | name: CI 4 | 5 | # Controls when the workflow will run 6 | on: 7 | # Triggers the workflow on push or pull request events but only for the master branch 8 | push: 9 | branches: [ master ] 10 | pull_request: 11 | branches: [ master ] 12 | 13 | # Allows you to run this workflow manually from the Actions tab 14 | workflow_dispatch: 15 | 16 | # A workflow run is made up of one or more jobs that can run sequentially or in parallel 17 | jobs: 18 | 19 | # Run parser tests and checks 20 | build: 21 | # The type of runner that the job will run on 22 | runs-on: ubuntu-latest 23 | 24 | # Steps represent a sequence of tasks that will be executed as part of the job 25 | steps: 26 | # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it 27 | - uses: actions/checkout@v2 28 | 29 | - name: set up python 3.9.12 30 | uses: actions/setup-python@v4 31 | with: 32 | python-version: 3.9.12 33 | 34 | - name: install python depedencies 35 | run: pip install -r requirements.txt 36 | 37 | - name: run tests 38 | run: python -m pytest -s test/ 39 | 40 | # Run pre-commit checks 41 | pre-commit: 42 | runs-on: ubuntu-latest 43 | timeout-minutes: 5 44 | steps: 45 | - uses: actions/checkout@v2 46 | - name: Set up Python 3.9.12 47 | uses: actions/setup-python@v4 48 | with: 49 | python-version: 3.9.12 50 | - name: Install python dependencies 51 | run: | 52 | pip install -r requirements.txt 53 | - name: Run pre-commit 54 | run: | 55 | pre-commit install 56 | pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) 57 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | # Byte-compiled / optimized / DLL files 2 | __pycache__/ 3 | *.py[cod] 4 | *$py.class 5 | *.pyc 6 | 7 | # C extensions 8 | *.so 9 | 10 | # Distribution / packaging 11 | .Python 12 | build/ 13 | develop-eggs/ 14 | dist/ 15 | downloads/ 16 | eggs/ 17 | .eggs/ 18 | lib/ 19 | lib64/ 20 | parts/ 21 | sdist/ 22 | var/ 23 | wheels/ 24 | share/python-wheels/ 25 | *.egg-info/ 26 | .installed.cfg 27 | *.egg 28 | MANIFEST 29 | 30 | # 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For a library or package, you might want to ignore these files since the code is 88 | # intended to run in multiple environments; otherwise, check them in: 89 | # .python-version 90 | 91 | # pipenv 92 | # According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. 93 | # However, in case of collaboration, if having platform-specific dependencies or dependencies 94 | # having no cross-platform support, pipenv may install dependencies that don't work, or not 95 | # install all needed dependencies. 96 | #Pipfile.lock 97 | 98 | # PEP 582; used by e.g. github.com/David-OConnor/pyflow 99 | __pypackages__/ 100 | 101 | # Celery stuff 102 | celerybeat-schedule 103 | celerybeat.pid 104 | 105 | # SageMath parsed files 106 | *.sage.py 107 | 108 | # Environments 109 | .env 110 | .venv 111 | env/ 112 | venv/ 113 | ENV/ 114 | env.bak/ 115 | venv.bak/ 116 | 117 | # Spyder project settings 118 | .spyderproject 119 | .spyproject 120 | 121 | # Rope project settings 122 | .ropeproject 123 | 124 | # mkdocs documentation 125 | /site 126 | 127 | # mypy 128 | .mypy_cache/ 129 | .dmypy.json 130 | dmypy.json 131 | 132 | # Pyre type checker 133 | .pyre/ 134 | 135 | # pytype static type analyzer 136 | .pytype/ 137 | 138 | # Cython debug symbols 139 | cython_debug/ 140 | 141 | # vscode specific 142 | .vscode 143 | -------------------------------------------------------------------------------- /.pre-commit-config.yaml: -------------------------------------------------------------------------------- 1 | # Install pre-commit hooks via 2 | # pre-commit install 3 | 4 | repos: 5 | - repo: https://github.com/pre-commit/pre-commit-hooks 6 | rev: v2.5.0 7 | hooks: 8 | - id: double-quote-string-fixer 9 | - id: end-of-file-fixer 10 | - id: fix-encoding-pragma 11 | - id: mixed-line-ending 12 | - id: trailing-whitespace 13 | 14 | - repo: https://github.com/pre-commit/mirrors-yapf 15 | rev: v0.30.0 16 | hooks: 17 | - id: yapf 18 | name: yapf 19 | types: [python] 20 | args: ['-i'] 21 | 22 | - repo: local 23 | hooks: 24 | - id: pylint 25 | name: pylint 26 | entry: pylint 27 | types: [python] 28 | language: system 29 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | MIT License 2 | 3 | Copyright (c) 2021 Jack Evans 4 | 5 | Permission is hereby granted, free of charge, to any person obtaining a copy 6 | of this software and associated documentation files (the "Software"), to deal 7 | in the Software without restriction, including without limitation the rights 8 | to use, copy, modify, merge, publish, distribute, sublicense, and/or sell 9 | copies of the Software, and to permit persons to whom the Software is 10 | furnished to do so, subject to the following conditions: 11 | 12 | The above copyright notice and this permission notice shall be included in all 13 | copies or substantial portions of the Software. 14 | 15 | THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR 16 | IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, 17 | FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE 18 | AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER 19 | LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, 20 | OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE 21 | SOFTWARE. 22 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # Adsorption Information File 2 | This repository contains the details of an universal file format for gas adsorption experiments. 3 | 4 | ## Core dictionary 5 | The current dictionary of data items used by adsorption information files can be found in: 6 | [aifdictionary.json](/aifdictionary.json) 7 | Feel free to initate a pull request to add new terms. 8 | 9 | ## raw2aif converter 10 | A simple program was produced to facilitate the production of adsorption information files from raw analysis text files exported by Quantachrome software (*.txt*) and the Belsorb software raw data files (*.DAT*) and xls files exported by Micromeritics software (*.xls*). 11 | 12 | [adsorptioninformationformat.com/raw2aif](http://adsorptioninformationformat.com/raw2aif) 13 | 14 | The steps to using this program is straightforward and a short tutorial can be found [here](https://youtu.be/uNojsNWJDCA). 15 | 16 | ## Citation 17 | Jack D. Evans, Volodymyr Bon, Irena Senkovska, and Stefan Kaskel, *Langmuir*, **2021**. 18 | [10.1021/acs.langmuir.1c00122](https://dx.doi.org/10.1021/acs.langmuir.1c00122) 19 | -------------------------------------------------------------------------------- /aifdictionary.json: -------------------------------------------------------------------------------- 1 | [ 2 | {"data name": "_exptl_operator" , "description": "name of the person who ran the experiment (string)"}, 3 | {"data name": "_exptl_date", "description":"date of the experiment (string in ISO 8601 format)"}, 4 | {"data name": "_exptl_instrument", "description":"instrument id used for the experiment (string)"}, 5 | {"data name": "_exptl_adsorptive", "description": "name of the adsorptive (string)"}, 6 | {"data name": "_exptl_adsorptive_name", "description": "secondary identifier (string)"}, 7 | {"data name": "_exptl_temperature", "description":"temperature of the experiment (float)"}, 8 | {"data name": "_exptl_method", "description":"description of method used to determine amount adsorbed, eg. volumetric (string)"}, 9 | {"data name": "_exptl_isotherm_type", "description":"description of isotherm type, eg. absolute, excess, net (string)"}, 10 | {"data name": "_exptl_p0", "description": "saturation pressure of the experiment at the temperature of the experiment (float)"}, 11 | {"data name": "_exptl_digitizer", "description":"name of the person who digitized the experiment (string)"}, 12 | 13 | {"data name": "_adsnt_sample_mass", "description":"mass of the sample (float)"}, 14 | {"data name": "_adsnt_sample_density", "description":"density of the sample (float)"}, 15 | {"data name": "_adsnt_sample_id", "description":"unique identifying code used by the operator (string)"}, 16 | {"data name": "_adsnt_material_id", "description":"designated name for the material (string)"}, 17 | {"data name": "_adsnt_info", "description":"secondary identifier (string)"}, 18 | {"data name": "_adsnt_hashkey", "description":"secondary identifier (string)"}, 19 | {"data name": "_adsnt_degas_summary", "description":"summary of degas conditions (string)"}, 20 | {"data name": "_adsnt_degas_temperature", "description":"degas temperature (float)"}, 21 | {"data name": "_adsnt_degas_time", "description":"degas time (float)"}, 22 | 23 | {"data name": "_simltn_code", "description":"secondary identifier (string)"}, 24 | {"data name": "_simltn_date", "description":"date of the simulation (string in ISO 8601 format)"}, 25 | {"data name": "_simltn_size", "description":"num of unit cells, sample mass, etc (string)"}, 26 | {"data name": "_simltn_forcefield_adsorptive", "description":"adsorptive model details (string)"}, 27 | {"data name": "_simltn_forcefield_adsorbent", "description":"adsorbent model details (string)"}, 28 | {"data name": "_simltn_input_files", "description":"repository link to input files and other codes used in the simulation (string)"}, 29 | {"data name": "_simltn_sampling", "description":"phase space sampling algorithm (string)"}, 30 | {"data name": "_simltn_lot", "description":"level of theory used in calculation, e.g. DFT, MLP, classical etc. (string)"}, 31 | 32 | {"data name": "_citation_doi", "description":"the digital object identifier (DOI) of the cited work (string)"}, 33 | {"data name": "_citation_source", "description":"source of the cited work (string)"}, 34 | 35 | {"data name": "_units_temperature", "description":"units of temperature (string)"}, 36 | {"data name": "_units_pressure", "description":"units of pressure (string)"}, 37 | {"data name": "_units_mass", "description":"units of mass (string)"}, 38 | {"data name": "_units_loading", "description":"units of amount adsorbed (string)"}, 39 | {"data name": "_units_density", "description":"units of density (string)"}, 40 | {"data name": "_units_time", "description": "units of time (string)"}, 41 | {"data name": "_units_composition_type", "description": "composition definiton (string)"}, 42 | 43 | {"data name": "_adsorp_pressure", "description":"equilibrium pressure of the adsorption measurement (float)"}, 44 | {"data name": "_adsorp_fugacity", "description":"fugacity of the adsorption measurement (float)"}, 45 | {"data name": "_adsorp_p0", "description": "saturation pressure of the adsorption measurement at the temperature of the experiment(float)"}, 46 | {"data name": "_adsorp_amount" , "description":"amount adsorbed during the adsorption measurement (float)"}, 47 | {"data name": "_desorp_pressure", "description":"equilibrium pressure of the desorption measurement at the temperature of the experiment (float)"}, 48 | {"data name": "_desorp_fugacity", "description":"fugacity of the desorption measurement (float)"}, 49 | {"data name": "_desorp_p0", "description":"saturation pressure of the desorption measurement at the temperature of the experiment (float)"}, 50 | {"data name": "_desorp_amount", "description": "amount adsorbed during the desorption measurement (float)"}, 51 | {"data name": "_adsorp_amount_excess", "description": "excess amount adsorbed during the adsorption measurement (float)"}, 52 | {"data name": "_adsorp_amount_absolute", "description": "absolute amount adsorbed during the adsorption measurement (float)"}, 53 | {"data name": "_adsorp_amount_net", "description": "net amount adsorbed during the adsorption measurement (float)"}, 54 | {"data name": "_desorp_amount_excess", "description": "excess amount adsorbed during the desorption measurement (float)"}, 55 | {"data name": "_desorp_amount_absolute", "description": "absolute amount adsorbed during the desorption measurement (float)"}, 56 | {"data name": "_desorp_amount_net", "description": "net amount adsorbed during the desorption measurement (float)"}, 57 | 58 | {"data name": "_audit_aif_version", "description": "version of AIF data names (Github commit hash)"}, 59 | 60 | {"data name": "*_uncertainty", "description": "uncertainty associated with value (float)"} 61 | 62 | ] 63 | -------------------------------------------------------------------------------- /build.ps1: -------------------------------------------------------------------------------- 1 | Set-ItemProperty -Path 'HKLM:\SYSTEM\CurrentControlSet\Control\FileSystem\' -Name 'LongPathsEnabled' -Value 1 2 | New-Item -Path C:\tmp -ItemType directory 3 | $env:TMPDIR = 'C:\tmp' 4 | 5 | Install-PackageProvider -Name NuGet -Force 6 | Install-Module -Name VcRedist -Force 7 | Import-Module -Name VcRedist 8 | $VcList = Get-VcList -Release 2019 -Architecture x64 9 | Save-VcRedist -Path C:\tmp -VcList $VcList 10 | Install-VcRedist -Path C:\tmp -VcList $VcList 11 | 12 | pip install -r requirements.txt 13 | pip install pyinstaller 14 | pip install gooey 15 | pyinstaller raw2aif_gui.spec 16 | -------------------------------------------------------------------------------- /example.aif: -------------------------------------------------------------------------------- 1 | # comment goes here 2 | data_raw2aifv003 3 | _exptl_operator 'Nicole' 4 | _exptl_date 2009-09-17T19:56:00 5 | _exptl_instrument 'Autosorb Station 1' 6 | _exptl_adsorptive Nitrogen 7 | _exptl_temperature 77.3 8 | _exptl_sample_mass 0.0339 9 | _sample_id 'nk_DUT-6_LP_N2_114pkt' 10 | _sample_material_id 'DUT-6' 11 | _units_temperature K 12 | _units_pressure Pa 13 | _units_mass g 14 | _units_loading mmol/g 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.269367243408 101860.98004799998 0.006484305926579284 21 | 0.27275763204 101860.98004799998 0.008217577878132952 22 | 0.273485572344 101860.98004799998 0.009928476539499517 23 | loop_ 24 | _desorp_pressure 25 | _desorp_p0 26 | _desorp_amount 27 | 97113.50270639999 101860.98004799998 57.919842028778376 28 | 90734.559156 101860.98004799998 57.83008565285129 29 | 85586.58132479999 101860.98004799998 57.74993663094573 30 | -------------------------------------------------------------------------------- /examples/Default Dataset.csv: -------------------------------------------------------------------------------- 1 | 0.0015308311452059131, 100.48396231272204 2 | 0.0015617223566562477, 132.78072388405485 3 | 0.0015891812112787673, 161.4889563919064 4 | 0.001616640065901287, 190.19718889975775 5 | 0.003075391717722975, 215.32204087936975 6 | 0.0031062829291733096, 247.61880245070256 7 | 0.006011772983919417, 285.30865468774095 8 | 0.006064974514750576, 340.93085517170334 9 | 0.008254818170897071, 380.41239767286197 10 | 0.009003071959360898, 412.71173351181574 11 | 0.009037395527638992, 448.59702414663025 12 | 0.010503011893116365, 480.89893425320474 13 | 0.011961763544938109, 506.0237862328165 14 | 0.013427379910415482, 538.3256963393912 15 | 0.013482297619660522, 595.7421613550941 16 | 0.01928298065866929, 660.3562786387271 17 | 0.0207691911651135, 714.1893631261904 18 | 0.03233280131802507, 803.9437779951601 19 | 0.040968611096809604, 832.682901714462 20 | 0.04960098851876643, 857.8334963702824 21 | 0.05680550550035185, 890.156000617824 22 | 0.06257186497108236, 918.8848272666423 23 | 0.07121110710669476, 951.2124800494257 24 | 0.07697746657742538, 979.9413066982441 25 | 0.07989840223789668, 1033.7795397209493 26 | 0.087121797182035, 1085.8389538176386 27 | 0.09434004359093168, 1132.515574319106 28 | 0.10225849079270283, 1161.252123770787 29 | 0.12523811975492977, 1186.4542037790247 30 | 0.14892653040210052, 1202.6875353961796 31 | 0.17619660539909715, 1213.5509447562167 32 | 0.20346839657450805, 1226.2086186479946 33 | 0.22929516552540802, 1228.0955568140862 34 | 0.25512708301155, 1235.3652885754002 35 | 0.28167464689629135, 1240.8433300725942 36 | 0.30678576944859176, 1244.5219585028058 37 | 0.3326159707563198, 1249.997425732379 38 | 0.3570114469100207, 1255.4677444267104 39 | 0.3835521460811064, 1253.7687277969417 40 | 0.4093806312104205, 1257.449930494774 41 | 0.4344900375843071, 1259.334294393245 42 | 0.458883797559594, 1263.010348555836 43 | 0.48399492011189466, 1266.6889769860472 44 | 0.5091077588426092, 1272.1618699479995 45 | 0.532780723884055, 1272.2468207794882 46 | 0.5600422179889823, 1274.1389074808217 47 | 0.5844359779642694, 1277.8149616434123 48 | 0.6095436681597419, 1277.9050610101426 49 | 0.633932279599787, 1276.198321577511 50 | 0.6583260395750743, 1279.8743757401019 51 | 0.6855858175015874, 1279.9721979096946 52 | 0.7106969400538883, 1283.6508263399062 53 | 0.7365219928263744, 1283.7434999742572 54 | 0.7601949578678202, 1283.8284508057457 55 | 0.7853077965985342, 1289.301343767698 56 | 0.8111311331926068, 1287.5997528703083 57 | 0.8376735485421063, 1287.69500077228 58 | 0.8613482297619661, 1289.5742161355092 59 | 0.8864559199574389, 1289.6643155022396 60 | 0.9115636101529119, 1289.7544148689697 61 | 0.9359522215929568, 1288.0476754363383 62 | 0.9624980692992844, 1291.7314524017916 63 | 0.9847363091867027, 1291.8112546980383 64 | -------------------------------------------------------------------------------- /examples/Default Dataset2.csv: -------------------------------------------------------------------------------- 1 | 0.9840189466096896, 1291.8086804304176 2 | 0.9553227273507356, 1289.9114451938422 3 | 0.923036262849886, 1284.4128095556812 4 | 0.8929070346153187, 1284.304690315605 5 | 0.866364619265819, 1284.209442413633 6 | 0.8405395664933324, 1284.1167687792822 7 | 0.816866601451887, 1284.0318179477936 8 | 0.7910415486794009, 1283.9391443134427 9 | 0.7666460725256998, 1278.4688256191112 10 | 0.7401036571762001, 1278.3735777171394 11 | 0.7164306921347545, 1278.288626885651 12 | 0.6884535516312278, 1278.1882304484373 13 | 0.6662153117438088, 1278.1084281521905 14 | 0.6425423467023632, 1278.023477320702 15 | 0.6159964989960358, 1274.3397003552489 16 | 0.592321817776176, 1272.4604849920197 17 | 0.5664967650036896, 1272.3678113576686 18 | 0.542101288849989, 1266.8974926633373 19 | 0.5162779522559164, 1268.5990835607267 20 | 0.4918859084590434, 1266.7172939298769 21 | 0.46820951106076986, 1263.043814034907 22 | 0.44166709571127, 1262.948566132935 23 | 0.41727161955756925, 1257.4782474386036 24 | 0.391446566785083, 1257.3855738042525 25 | 0.3677684532083954, 1251.917829377542 26 | 0.3433746932331086, 1248.2417752149513 27 | 0.31754964046062223, 1248.1491015806 28 | 0.29387152688393486, 1242.6813571538896 29 | 0.2694760507302339, 1237.211038459558 30 | 0.24364584942250594, 1231.735571229985 31 | 0.21925037326880492, 1226.2652525356534 32 | 0.19485146475827625, 1217.2064047778406 33 | 0.17117335118158888, 1211.73866035113 34 | 0.1489248142236868, 1200.8932708644388 35 | 0.1266728449089567, 1186.4593523142664 36 | 0.10297585336971632, 1161.254698038408 37 | 0.078437934407661, 1006.8604232095968 38 | 0.05249274914620122, 881.1692323533953 39 | 0.027996018466079742, 769.8373062863614 40 | 0.014240848478607848, 638.8070843844924 41 | -------------------------------------------------------------------------------- /examples/compareaif.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """Compare AIF Files and plot""" 3 | import matplotlib as mpl 4 | import matplotlib.pyplot as plt 5 | import numpy as np 6 | from gemmi import cif # pylint: disable-msg=no-name-in-module 7 | 8 | aif = cif.read_file( 9 | 'database/DUT-6/NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).aif') 10 | block = aif.sole_block() 11 | ads_press = np.array(block.find_loop('_adsorp_pressure'), dtype=float) 12 | ads_p0 = np.array(block.find_loop('_adsorp_p0'), dtype=float) 13 | ads_amount = np.array(block.find_loop('_adsorp_amount'), dtype=float) 14 | des_press = np.array(block.find_loop('_desorp_pressure'), dtype=float) 15 | des_p0 = np.array(block.find_loop('_desorp_p0'), dtype=float) 16 | des_amount = np.array(block.find_loop('_desorp_amount'), dtype=float) 17 | 18 | mpl.rcParams['pdf.fonttype'] = 42 19 | 20 | plt.rcParams.update({'font.size': 6}) 21 | 22 | f, (ax1, ax2) = plt.subplots(1, 2, sharey=True, sharex=True) 23 | 24 | f.tight_layout() 25 | f.set_size_inches(3, 2.2) 26 | 27 | ax2.semilogx(ads_press / ads_p0, ads_amount, 'o', color='tab:blue', ms=5) 28 | ax2.plot(des_press / des_p0, 29 | des_amount, 30 | 'o', 31 | markerfacecolor='white', 32 | color='tab:blue', 33 | ms=5) 34 | 35 | digit_ads_press = np.genfromtxt('example/Default Dataset.csv', 36 | delimiter=',')[:, 0] 37 | digit_ads_amount = np.genfromtxt('example/Default Dataset.csv', 38 | delimiter=',')[:, 1] 39 | 40 | digit_des_press = np.genfromtxt('example/Default Dataset2.csv', 41 | delimiter=',')[:, 0] 42 | digit_des_amount = np.genfromtxt('example/Default Dataset2.csv', 43 | delimiter=',')[:, 1] 44 | 45 | #convert units 46 | digit_ads_amount = digit_ads_amount / 22.414 47 | digit_des_amount = digit_des_amount / 22.414 48 | 49 | ax1.semilogx(digit_ads_press, digit_ads_amount, 'o', color='tab:orange', ms=5) 50 | ax1.semilogx(digit_des_press, 51 | digit_des_amount, 52 | 'o', 53 | markerfacecolor='white', 54 | color='tab:orange', 55 | ms=5) 56 | 57 | ax1.set_ylabel(r'amount adsorbed / mol$\,$kg$^{-1}$') 58 | ax2.set_xlabel(r'relative pressure / $p/p_0$') 59 | 60 | plt.savefig('example/exampleplot.pdf', dpi=600, bbox_inches='tight') 61 | -------------------------------------------------------------------------------- /examples/exampleplot.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/examples/exampleplot.pdf -------------------------------------------------------------------------------- /examples/screenshot.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/examples/screenshot.png -------------------------------------------------------------------------------- /parsers/BEL_csv.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """ 3 | Parse BEL CSV to AIF 4 | Handles both western and JIS encoded text 5 | """ 6 | # pylint: disable-msg=invalid-name # to allow non-conforming variable names 7 | # pylint: disable-msg=too-many-locals 8 | # pylint: disable-msg=too-many-branches 9 | # pylint: disable-msg=too-many-statements 10 | import dateutil.parser 11 | import numpy as np 12 | import pandas as pd 13 | 14 | # for parsing csv files exported by BEL software 15 | # uses internal dictionary to read both JIS and western text encoding 16 | 17 | _BEL_DICT = { 18 | 'operator': { 19 | 'ENG': 'COMMENT2', 20 | 'JPN': 'コメント２' 21 | }, 22 | 'date': { 23 | 'ENG': 'Date of measurement', 24 | 'JPN': '測定日' 25 | }, 26 | 'serialnumber': { 27 | 'ENG': 'Serial number', 28 | 'JPN': 'シリアルナンバー' 29 | }, 30 | 's/n': { 31 | 'ENG': 'S/N', 32 | 'JPN': 'シリアルナンバー' 33 | }, 34 | 'adsorptive': { 35 | 'ENG': 'Adsorptive,', 36 | 'JPN': '吸着質名称' 37 | }, 38 | 'temperature': { 39 | 'ENG': 'Adsorption temperature', 40 | 'JPN': '吸着温度' 41 | }, 42 | 'sample_mass': { 43 | 'ENG': 'Sample weight', 44 | 'JPN': 'サンプル質量' 45 | }, 46 | 'sample_id': { 47 | 'ENG': 'COMMENT1', 48 | 'JPN': 'コメント１' 49 | } 50 | } 51 | 52 | 53 | def parse(path, lang='ENG'): 54 | """ 55 | Get the isotherm and sample data from a BEL Japan .csv file. 56 | Parameters 57 | ---------- 58 | path : str 59 | Path to the file to be read. 60 | Returns 61 | ------- 62 | dataDF 63 | """ 64 | 65 | # set encoding 66 | if lang == 'ENG': 67 | encoding = 'ISO-8859-1' 68 | else: 69 | encoding = 'shift_jis' 70 | 71 | with open(path, 'r', encoding=encoding) as fp: 72 | lines = fp.readlines() 73 | 74 | # get experimental and material parameters 75 | data_meta = {} 76 | columns = [] 77 | data = [] 78 | 79 | for index, line in enumerate(lines): 80 | if _BEL_DICT['operator'][lang] in line: 81 | operator = line.split(',')[-1] 82 | data_meta['user'] = operator.strip('\n') 83 | if _BEL_DICT['date'][lang] in line: 84 | date = line.split(',')[-1] 85 | date = dateutil.parser.parse(date.split(':')[-1], yearfirst=True) 86 | data_meta['date'] = date.isoformat() 87 | if _BEL_DICT['serialnumber'][lang] in line: 88 | instrument = line.split(',')[-1] 89 | data_meta['apparatus'] = 'BEL ' + instrument.strip('\n') 90 | if _BEL_DICT['s/n'][lang] in line: 91 | instrument = line.split(',')[-1] 92 | data_meta['apparatus'] = 'BEL ' + instrument.strip('\n') 93 | if _BEL_DICT['adsorptive'][lang] in line: 94 | adsorptive = line.split(',')[-1] 95 | data_meta['adsorbate'] = adsorptive.strip('\n') 96 | if _BEL_DICT['temperature'][lang] in line: 97 | temperature = float(line.split(',')[1]) 98 | data_meta['temperature'] = temperature 99 | data_meta['temperature_unit'] = line.split(',')[-1].strip('[]\n') 100 | if _BEL_DICT['sample_mass'][lang] in line: 101 | sample_mass = float(line.split(',')[1]) 102 | data_meta['mass'] = sample_mass 103 | data_meta['adsorbent_unit'] = line.split(',')[-1].strip('[]\n') 104 | if _BEL_DICT['sample_id'][lang] in line: 105 | sample_id = line.split(',')[-1] 106 | data_meta['sample_id'] = sample_id.strip('\n') 107 | 108 | if line.startswith('No,'): 109 | for column in line.split(','): 110 | columns.append(column.split('/')[0].strip('\n')) 111 | if column.startswith('pe'): 112 | data_meta['pressure_unit'] = column.split('/')[-1] 113 | if column.startswith('Va'): 114 | data_meta['loading_unit'] = column.split('/')[-1].strip( 115 | '\n') 116 | 117 | if line.startswith('ADS'): 118 | ads_start = index + 1 119 | 120 | # get the adsorption data 121 | for index, line in enumerate(lines): 122 | if index >= ads_start: 123 | if line.split(',')[0] != 'DES\n': 124 | if int(line.split(',')[0]) > 0: 125 | if index >= ads_start: 126 | data.append(line.split(',')) 127 | 128 | # create pandas dataframe of adsorption data 129 | data = np.array(data, dtype=float) 130 | df = pd.DataFrame(data, columns=columns) 131 | 132 | # split ads / desorption branches 133 | turning_point = df['pe'].argmax() + 1 134 | # santize vital column names for use with raw2aif 135 | df.columns = df.columns.str.replace('pe', 'pressure') 136 | df.columns = df.columns.str.replace('Va', 'loading') 137 | df.columns = df.columns.str.replace('p0', 'pressure_saturation') 138 | #if two or more loadings are present save the last column 139 | if isinstance(df['loading'], pd.DataFrame): 140 | df = df.loc[:, ~df.columns.duplicated(keep='last')] 141 | return data_meta, df[:turning_point], df[turning_point:] 142 | -------------------------------------------------------------------------------- /parsers/__init__.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """General parser settings.""" 3 | # -*- coding: utf-8 -*- 4 | import numpy as np 5 | import pandas as pd 6 | 7 | 8 | def aif_data_standardise(meta, data): 9 | 'Change data dict from parser to match an AIF format.' 10 | 11 | # change pressure modes 12 | p_key = 'pressure' 13 | if 'pressure' not in data: 14 | if 'pressure_relative' in data and 'pressure_saturation' in data: 15 | data['pressure'] = [ 16 | a * b for a, b in zip(data['pressure_relative'], 17 | data['pressure_saturation']) 18 | ] 19 | meta['pressure_mode'] = 'relative' 20 | meta['pressure_unit'] = meta['pressure_saturation_unit'] 21 | else: 22 | p_key = 'pressure_relative' 23 | 24 | # Get to original unparsed strings 25 | if meta.get('original_pressure_string'): 26 | meta['pressure_unit'] = meta.pop('original_pressure_string') 27 | if meta.get('original_loading_string'): 28 | meta['loading_unit'] = meta.pop('original_loading_string') 29 | 30 | # ensure something is passed 31 | if meta['pressure_unit'] is None: 32 | meta['pressure_unit'] = 'relative' 33 | 34 | # split ads / desorption branches 35 | if 'branch' in data: 36 | if 1 in data['branch']: 37 | turnp = data['branch'].index(1) 38 | else: 39 | turnp = len(data['branch']) 40 | del data['branch'] 41 | else: 42 | turnp = np.argmax(data[p_key]) + 1 43 | 44 | data_ads = {} 45 | data_des = {} 46 | 47 | for key, val in data.items(): 48 | data_ads[key] = val[:turnp] 49 | data_des[key] = val[turnp:] 50 | 51 | data_ads = pd.DataFrame(data_ads) 52 | data_des = pd.DataFrame(data_des) 53 | 54 | return meta, data_ads, data_des 55 | -------------------------------------------------------------------------------- /plotaif.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """Plot AIF from command line""" 3 | import os 4 | import sys 5 | 6 | import matplotlib.pyplot as plt 7 | import numpy as np 8 | from gemmi import cif # pylint: disable-msg=no-name-in-module 9 | 10 | 11 | def main(): 12 | """Main plot function.""" 13 | filename = sys.argv[1] 14 | 15 | aif = cif.read(filename) 16 | block = aif.sole_block() 17 | ads_press = np.array(block.find_loop('_adsorp_pressure'), dtype=float) 18 | ads_amount = np.array(block.find_loop('_adsorp_amount'), dtype=float) 19 | des_press = np.array(block.find_loop('_desorp_pressure'), dtype=float) 20 | des_amount = np.array(block.find_loop('_desorp_amount'), dtype=float) 21 | 22 | material_id = block.find_pair('_adsnt_material_id')[-1] 23 | 24 | plt.plot(ads_press, ads_amount, 'o-', color='C0') 25 | plt.plot(des_press, des_amount, 'o-', color='C0', markerfacecolor='white') 26 | 27 | plt.ylabel('quantity adsorbed / ' + block.find_pair('_units_loading')[-1]) 28 | plt.xlabel('pressure / ' + block.find_pair('_units_pressure')[-1]) 29 | plt.title( 30 | block.find_pair('_exptl_adsorptive')[-1] + ' on ' + material_id + 31 | ' at ' + block.find_pair('_exptl_temperature')[-1] + 'K') 32 | plt.savefig(os.path.splitext(filename)[0] + '.pdf') 33 | 34 | 35 | if __name__ == '__main__': 36 | main() 37 | -------------------------------------------------------------------------------- /raw2aif_gui.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """GUI for Converting Raw (format agnostic) files to AIF""" 3 | # pylint: disable-msg=invalid-name # to allow non-conforming variable names 4 | import os 5 | 6 | from gooey import Gooey, GooeyParser # pylint: disable-msg=import-error 7 | 8 | from raw2aif import makeAIF, parse 9 | 10 | 11 | def convert(filename, material_id, filetype): 12 | """Wrapper for converting Raw to AIF""" 13 | data_meta, data_ads, data_des = parse(filetype, filename) 14 | outputfilename = os.path.splitext(filename)[0] + '.aif' 15 | print(f'Writing output to {outputfilename}') 16 | makeAIF(data_meta, data_ads, data_des, material_id, filename) 17 | 18 | 19 | @Gooey(required_cols=1, 20 | optional_cols=1, 21 | default_size=(300, 675), 22 | menu=[{ 23 | 'name': 24 | 'Help', 25 | 'items': [{ 26 | 'type': 'AboutDialog', 27 | 'menuTitle': 'About', 28 | 'name': 'RAW to AIF Converter', 29 | 'description': 30 | 'A universal file format for gas adsorption experiments', 31 | 'version': '0.0.5', 32 | 'copyright': '2021', 33 | 'website': 34 | 'https://github.com/jackevansadl/adsorptioninformationfile', 35 | 'developer': '@jackevansadl, GUI + Compilation by @renkoh', 36 | 'license': 'MIT License' 37 | }] 38 | }]) 39 | def main(): 40 | """Main GUI Loop for Raw to AIF Converter""" 41 | parser = GooeyParser(description='raw2aif converter') 42 | 43 | group = parser.add_argument_group() 44 | group.add_argument('filename', widget='FileChooser') 45 | 46 | group.add_argument('material_id') 47 | 48 | input_type = group.add_mutually_exclusive_group(required=True, 49 | gooey_options={ 50 | 'initial_selection': 0, 51 | 'title': 'filetype' 52 | }) 53 | input_type.add_argument('-quantachrome', 54 | metavar='Quantachrome (.txt)', 55 | action='store_true') 56 | input_type.add_argument('-belsorp-max', 57 | metavar='BELSORP-max (.dat)', 58 | action='store_true') 59 | input_type.add_argument('-belsorp-csv', 60 | metavar='BEL-csv (.csv)', 61 | action='store_true') 62 | input_type.add_argument('-belsorp-csv-JIS', 63 | metavar='BEL-csv JIS encoding (.csv)', 64 | action='store_true') 65 | input_type.add_argument('-micromeritics', 66 | metavar='Micromeritics (.xls)', 67 | action='store_true') 68 | 69 | args = parser.parse_args() 70 | 71 | filetype = None 72 | 73 | if args.quantachrome: 74 | filetype = 'quantachrome' 75 | elif args.belsorp_max: 76 | filetype = 'BELSORP-max' 77 | elif args.belsorp_csv: 78 | filetype = 'BEL-csv' 79 | elif args.belsorp_csv_JIS: 80 | filetype = 'BEL-csv_JIS' 81 | elif args.micromeritics: 82 | filetype = 'micromeritics' 83 | 84 | convert(args.filename, args.material_id, filetype) 85 | 86 | 87 | main() 88 | -------------------------------------------------------------------------------- /raw2aif_gui.spec: -------------------------------------------------------------------------------- 1 | # -*- mode: python ; coding: utf-8 -*- 2 | 3 | block_cipher = None 4 | 5 | 6 | a = Analysis(['raw2aif_gui.py'], 7 | pathex=['C:\src'], 8 | binaries=[('C:\\Windows\\System32\\msvcp140.dll', '.')], 9 | datas=[], 10 | hiddenimports=[], 11 | hookspath=[], 12 | runtime_hooks=[], 13 | excludes=[], 14 | win_no_prefer_redirects=False, 15 | win_private_assemblies=False, 16 | cipher=block_cipher, 17 | noarchive=False) 18 | pyz = PYZ(a.pure, a.zipped_data, 19 | cipher=block_cipher) 20 | exe = EXE(pyz, 21 | a.scripts, 22 | a.binaries, 23 | a.zipfiles, 24 | a.datas, 25 | [], 26 | name='raw2aif_gui', 27 | debug=False, 28 | bootloader_ignore_signals=False, 29 | strip=False, 30 | upx=True, 31 | upx_exclude=[], 32 | runtime_tmpdir=None, 33 | console=True ) 34 | -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- 1 | adsorption-file-parser >=0.2.0 2 | pytest 3 | gemmi 4 | pandas 5 | numpy 6 | matplotlib 7 | xlrd 8 | pre-commit 9 | pylint 10 | 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https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/screenshots/screenshot_3.png -------------------------------------------------------------------------------- /test/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/__init__.py -------------------------------------------------------------------------------- /test/conftest.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | """pytest-specific test configurations.""" 3 | import glob 4 | import os 5 | 6 | import pytest 7 | 8 | RECREATE_FILES = False 9 | 10 | 11 | @pytest.fixture(scope='session', autouse=True) 12 | def setup(request): 13 | """remove aif and pdf test files before and after testing""" 14 | print('\nCleaning files') 15 | aifs = glob.glob('./test/database/*/*.aif') 16 | pdfs = glob.glob('./test/database/*/*.pdf') 17 | for filename in aifs + pdfs: 18 | os.remove(filename) 19 | 20 | def fin(): 21 | print('\nCleaning files') 22 | aifs = glob.glob('./test/database/*/*.aif') 23 | pdfs = glob.glob('./test/database/*/*.pdf') 24 | if RECREATE_FILES: 25 | for filename in aifs: 26 | os.replace(filename, filename + '_tst') 27 | for filename in pdfs: 28 | os.remove(filename) 29 | else: 30 | for filename in aifs + pdfs: 31 | print(filename) 32 | os.remove(filename) 33 | 34 | request.addfinalizer(fin) 35 | 36 | 37 | bel_data = [ 38 | ('unknown', 'Ar_test/1.DAT'), ('Sample_E', 'bel/Sample_E.DAT'), 39 | ('DUT-13', 'DUT-13/BF010_DUT-13_CH4_111K_run2.DAT'), 40 | ('DUT-13', 'DUT-13/BF010_DUT-13_CH4_111K.DAT'), 41 | ('DUT-49', 'DUT-49/DUT-49_nbutane_273K_viele_Punkte.DAT'), 42 | ('DUT-49', 'DUT-49/DUT-49_nbutane_298K_viele_Punkte_hohe_masse.DAT'), 43 | ('DUT-49', 'DUT-49/DUT-49-SKDM017_SCD5dEtOH+act150C22h_N277K_run1.DAT'), 44 | ('DUT-49', 'DUT-49/DUT-49-SKDM019_SCDEtOH_Act.150C_Ar_87K.DAT'), 45 | ('DUT-67', 'DUT-67/DUT-67_H2O_298K.DAT'), 46 | ('DUT-67', 'DUT-67/DUT-67-N2_77K.DAT'), 47 | ('DUT-67', 'DUT-67/DUT67_1_Garching_acetone_298K.DAT'), 48 | ('DUT-67', 'DUT-67/DUT67_1_Garching_DCM_298K.DAT'), 49 | ('DUT-67', 'DUT-67/DUT67_1_Garching_EtOH_298K.DAT'), 50 | ('DUT-67', 'DUT-67/DUT67_1_Garching_hexane_298K.DAT'), 51 | ('DUT-67', 'DUT-67/DUT67_1_Garching_isopropanol_298K.DAT'), 52 | ('DUT-67', 'DUT-67/DUT67_1_Garching_MeOH_298K.DAT'), 53 | ('DUT-67', 'DUT-67/DUT67_1_Garching_toluol_298K.DAT'), 54 | ('DUT-67', 'DUT-67/DUT67_1_Garching_wasser_298K.DAT'), 55 | ('DUT-8', 'DUT-8/la-133_dut-8_zn_isp_cp_etoh_298k.DAT') 56 | ] 57 | 58 | qnt_data = [ 59 | ('DUT-6', r'DUT-6/NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).txt'), 60 | ('DUT-13', r'DUT-13/BF001 (Raw Analysis Data).txt'), 61 | ('DUT-60', r'DUT-60/ih_DUT-60_183b (Raw Analysis Data).txt'), 62 | ('DUT-75', r'DUT-75/US_540_DUT75_N2 (Raw Analysis Data).txt'), 63 | ('DUT-23', 64 | r'DUT-23/NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).txt' 65 | ), 66 | ('TEST', 'NovaWin/test.txt'), 67 | ('RE-22', r'NovaWin/RE-22 (Raw Analysis Data).txt'), 68 | ] 69 | 70 | mic_data = [ 71 | ('Sample_A', 'micromeritics/Sample_A.xls'), 72 | ('Sample_C', 'micromeritics/Sample_C.xls'), 73 | ('Sample_D', 'micromeritics/Sample_D.xls'), 74 | ('Sample_E', 'micromeritics/Sample_E.xls'), 75 | ('Sample_F', 'micromeritics/Sample_F.xls'), 76 | ('Sample_G', 'micromeritics/Sample_G.xls'), 77 | ('Sample_H', 'micromeritics/Sample_H.xls'), 78 | ('Sample_I', 'micromeritics/Sample_I.xls'), 79 | ('Sample_J', 'micromeritics/Sample_J.xls'), 80 | ('Sample_K', 'micromeritics/Sample_K.xls'), 81 | ('Sample_L', 'micromeritics/Sample_L.xls'), 82 | ('Sample_M', 'micromeritics/Sample_M.xls'), 83 | ('Sample_N', 'micromeritics/Sample_N.xls'), 84 | ] 85 | 86 | BELcsv_data = [('DUT-32', r'DUT-32/RGE-343-DUT32-7dCO2_Nitrogen(BelMax).csv'), 87 | ('DUT-13', 'DUT-13/BF-010-DUT-13-CH4-190K-run1-export.csv')] 88 | 89 | BELcsv_JIS_data = [ 90 | ('DMOF', 'DMOF/ASch082C_Zntmbdcdabco_C2H6_Exp190819a.csv'), 91 | ('DMOF', 92 | r'DMOF/ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.csv'), 93 | ('DMOF', 'DMOF/Asch065B_C2H6_298K_Exp190327a.csv') 94 | ] 95 | 96 | NIST_data = [ 97 | ('isotherm1', 'NIST/10.1021Jp400480q.Isotherm2.json'), 98 | ] 99 | -------------------------------------------------------------------------------- /test/database/Ar_test/1.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2020-06-03T00:00:00 4 | _exptl_instrument 'BEL 00218' 5 | _exptl_adsorptive 'Ar' 6 | _exptl_temperature 87.0 7 | _adsnt_sample_mass 0.1432 8 | _adsnt_sample_id 'aus der BOX' 9 | _adsnt_material_id 'unknown' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.00012621 101.3 0.00010258 21 | 0.00036169 101.3 0.1277 22 | 0.00051271 101.3 0.25735 23 | 0.00065335 101.3 0.38481 24 | 0.00079512 101.3 0.51136 25 | 0.00093801 101.3 0.63789 26 | 0.0010922 101.3 0.7648 27 | 0.0020781 101.3 1.4186 28 | 0.0047582 101.3 2.932 29 | 0.0076859 101.3 4.4476 30 | 0.010666 101.3 5.9556 31 | 0.030263 101.3 16.024 32 | 0.048555 101.3 26.061 33 | 0.065348 101.3 36.088 34 | 0.075344 101.3 43.195 35 | 0.084489 101.3 50.292 36 | 0.093028 101.3 57.417 37 | 0.10088 101.3 64.58 38 | 0.10869 101.3 71.85 39 | 0.12649 101.3 89.689 40 | 0.14131 101.3 107.23 41 | 0.1545 101.3 124.73 42 | 0.16773 101.3 142.27 43 | 0.18149 101.3 159.83 44 | 0.19707 101.3 177.4 45 | 0.21556 101.3 194.95 46 | 0.24065 101.3 212.39 47 | 0.27723 101.3 229.9 48 | 0.33717 101.3 247.3 49 | 0.41575 101.3 261.16 50 | 0.51024 101.3 271.56 51 | 0.6002 101.3 278.63 52 | 0.71768 101.3 285.67 53 | 0.79372 101.3 289.32 54 | 0.87704 101.3 292.96 55 | 0.96878 101.3 296.58 56 | 1.069 101.3 300.19 57 | 1.1801 101.3 303.78 58 | 1.2814 101.3 307.43 59 | 1.4076 101.3 311.04 60 | 1.5501 101.3 314.67 61 | 1.7007 101.3 318.17 62 | 1.8513 101.3 321.71 63 | 2.0426 101.3 325.19 64 | 2.2421 101.3 328.7 65 | 2.4863 101.3 332.14 66 | 2.759 101.3 335.55 67 | 3.0684 101.3 338.86 68 | 3.4388 101.3 341.96 69 | 3.8866 101.3 345.07 70 | 4.3873 101.3 347.91 71 | 4.9816 101.3 350.64 72 | 5.6736 101.3 353.22 73 | 6.4837 101.3 355.58 74 | 7.3955 101.3 357.72 75 | 8.405 101.3 359.69 76 | 9.5529 101.3 361.49 77 | 10.811 101.3 363.17 78 | 11.885 101.3 364.43 79 | 12.789 101.3 365.33 80 | 13.953 101.3 366.45 81 | 14.955 101.3 367.31 82 | 15.94 101.3 368.12 83 | 16.966 101.3 368.9 84 | 18.073 101.3 369.66 85 | 19.241 101.3 370.44 86 | 20.495 101.3 371.2 87 | 21.875 101.3 372.02 88 | 23.242 101.3 372.8 89 | 24.777 101.3 373.54 90 | 26.389 101.3 374.33 91 | 28.111 101.3 375.16 92 | 29.971 101.3 375.98 93 | 31.941 101.3 376.82 94 | 34.156 101.3 377.75 95 | 36.7 101.3 378.73 96 | 39.448 101.3 379.77 97 | 42.419 101.3 380.83 98 | 45.602 101.3 382.02 99 | 49.058 101.3 383.37 100 | 52.807 101.3 384.72 101 | 56.833 101.3 386.19 102 | 59.129 101.3 387.13 103 | 61.388 101.3 387.96 104 | 63.692 101.3 388.88 105 | 66.082 101.3 389.87 106 | 68.561 101.3 390.89 107 | 71.166 101.3 391.96 108 | 73.812 101.3 393.16 109 | 76.612 101.3 394.45 110 | 79.466 101.3 395.98 111 | 82.437 101.3 397.66 112 | 85.499 101.3 399.59 113 | 88.649 101.3 401.83 114 | 91.918 101.3 404.55 115 | 95.252 101.3 407.83 116 | 98.643 101.3 411.91 117 | 100.63 101.3 415.18 118 | 119 | loop_ 120 | _desorp_pressure 121 | _desorp_p0 122 | _desorp_amount 123 | 97.678 101.3 412.38 124 | 95.533 101.3 410.38 125 | 92.048 101.3 407.82 126 | 88.421 101.3 405.53 127 | 84.916 101.3 403.58 128 | 81.546 101.3 401.94 129 | 78.359 101.3 400.44 130 | 75.289 101.3 399.22 131 | 72.326 101.3 398.08 132 | 69.513 101.3 396.96 133 | 66.782 101.3 396.05 134 | 64.156 101.3 395.17 135 | 61.645 101.3 394.33 136 | 59.235 101.3 393.56 137 | 54.867 101.3 392.2 138 | 50.662 101.3 390.84 139 | 47.495 101.3 387.67 140 | 45.517 101.3 384.85 141 | 43.225 101.3 383.43 142 | 39.875 101.3 382.01 143 | 36.72 101.3 380.76 144 | 33.814 101.3 379.65 145 | 31.152 101.3 378.58 146 | 28.685 101.3 377.57 147 | 26.405 101.3 376.57 148 | 23.462 101.3 375.17 149 | 20.735 101.3 373.74 150 | 18.284 101.3 372.32 151 | 16.115 101.3 370.84 152 | 14.185 101.3 369.36 153 | 12.081 101.3 367.47 154 | 10.229 101.3 365.4 155 | 8.6452 101.3 363.18 156 | 7.4973 101.3 361.23 157 | 6.5854 101.3 359.26 158 | 5.7184 101.3 356.89 159 | 5.0142 101.3 354.55 160 | 4.3792 101.3 351.82 161 | 3.8663 101.3 349.11 162 | 3.4714 101.3 346.51 163 | 3.162 101.3 344.09 164 | 2.9137 101.3 341.8 165 | 2.7102 101.3 339.63 166 | 2.2543 101.3 333.89 167 | 1.8676 101.3 327.51 168 | 1.249 101.3 311.89 169 | 0.82888 101.3 296.43 170 | 0.56022 101.3 281.41 171 | 0.40394 101.3 266.17 172 | 0.31697 101.3 251.06 173 | 0.26509 101.3 235.96 174 | 0.23163 101.3 220.8 175 | -------------------------------------------------------------------------------- /test/database/DMOF/ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'single gas' 3 | _exptl_date 2019-10-04T00:00:00 4 | _exptl_instrument 'BEL VC-05' 5 | _exptl_adsorptive 'C2H4' 6 | _exptl_temperature 298.15 7 | _adsnt_sample_mass 0.7021 8 | _adsnt_sample_id '[Zn2(dm-bdc)2(dabco)]' 9 | _adsnt_material_id 'DMOF' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'cm^3(STP) g^-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.2394 6098.0 0.2526 21 | 10.985 6098.0 10.728 22 | 22.768 6098.0 20.622 23 | 35.314 6098.0 29.228 24 | 49.721 6098.0 37.097 25 | 65.353 6098.0 43.69 26 | 82.347 6098.0 49.297 27 | 101.44 6098.0 54.189 28 | 135.04 6098.0 60.536 29 | 170.16 6098.0 65.323 30 | 204.27 6098.0 68.876 31 | 237.04 6098.0 71.632 32 | 281.74 6098.0 74.789 33 | 313.95 6098.0 76.701 34 | 343.59 6098.0 78.225 35 | 372.44 6098.0 79.509 36 | 401.49 6098.0 80.673 37 | 429.34 6098.0 81.683 38 | 455.52 6098.0 82.547 39 | 482.26 6098.0 83.346 40 | 507.77 6098.0 84.049 41 | 531.74 6098.0 84.665 42 | 554.78 6098.0 85.197 43 | 576.28 6098.0 85.724 44 | 626.14 6098.0 86.724 45 | 676.94 6098.0 87.665 46 | 728.01 6098.0 88.493 47 | 779.76 6098.0 89.272 48 | 830.86 6098.0 89.948 49 | 881.91 6098.0 90.552 50 | 933.85 6098.0 91.13 51 | 986.18 6098.0 91.677 52 | 1037.4 6098.0 92.161 53 | 1088.6 6098.0 92.606 54 | 1139.4 6098.0 92.999 55 | 1193.0 6098.0 93.384 56 | 1245.0 6098.0 93.737 57 | 1296.8 6098.0 94.053 58 | 1347.3 6098.0 94.378 59 | 1398.9 6098.0 94.667 60 | 1450.9 6098.0 94.925 61 | 1503.0 6098.0 95.208 62 | 1554.1 6098.0 95.458 63 | 1604.8 6098.0 95.633 64 | 1656.5 6098.0 95.873 65 | 1707.0 6098.0 96.068 66 | 1758.4 6098.0 96.173 67 | 1808.3 6098.0 96.381 68 | 1860.7 6098.0 96.512 69 | 1912.9 6098.0 96.636 70 | 1964.3 6098.0 96.784 71 | 2014.8 6098.0 96.841 72 | 2064.9 6098.0 96.893 73 | 2116.2 6098.0 97.038 74 | 2166.6 6098.0 97.152 75 | 2216.2 6098.0 97.337 76 | 2266.1 6098.0 97.413 77 | 2316.8 6098.0 97.565 78 | 2366.9 6098.0 97.651 79 | 2417.8 6098.0 97.672 80 | 2468.3 6098.0 97.747 81 | 2517.7 6098.0 97.727 82 | 2567.6 6098.0 97.783 83 | 2617.2 6098.0 97.804 84 | 2666.5 6098.0 97.884 85 | 2716.9 6098.0 97.884 86 | 2765.7 6098.0 97.787 87 | 2815.8 6098.0 97.671 88 | 2865.6 6098.0 97.618 89 | 2915.0 6098.0 97.734 90 | 2964.2 6098.0 97.569 91 | 3014.0 6098.0 97.626 92 | -------------------------------------------------------------------------------- /test/database/DMOF/ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DMOF/ASch082B_Zndmbdcdabco_C2H4_Exp191004a_weight correction.csv -------------------------------------------------------------------------------- /test/database/DMOF/ASch082C_Zntmbdcdabco_C2H6_Exp190819a.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'single gas' 3 | _exptl_date 2019-08-19T00:00:00 4 | _exptl_instrument 'BEL VC-05' 5 | _exptl_adsorptive 'C2H6' 6 | _exptl_temperature 298.15 7 | _adsnt_sample_mass 0.817 8 | _adsnt_sample_id '[Zn2(tm-bdc)2(dabco)]' 9 | _adsnt_material_id 'DMOF' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'cm^3(STP) g^-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0405 3928.0 0.3878 21 | 1.7808 3928.0 16.157 22 | 3.816 3928.0 31.706 23 | 6.1866 3928.0 47.107 24 | 9.0845 3928.0 61.697 25 | 13.119 3928.0 75.729 26 | 19.271 3928.0 88.438 27 | 28.872 3928.0 98.684 28 | 43.095 3928.0 105.75 29 | 60.838 3928.0 110.1 30 | 81.553 3928.0 112.86 31 | 104.33 3928.0 114.63 32 | 151.96 3928.0 116.7 33 | 201.02 3928.0 117.87 34 | 249.14 3928.0 118.56 35 | 297.6 3928.0 119.04 36 | 343.34 3928.0 119.39 37 | 385.74 3928.0 119.63 38 | 425.91 3928.0 119.81 39 | 463.43 3928.0 119.95 40 | 498.47 3928.0 120.07 41 | 531.73 3928.0 120.16 42 | 562.18 3928.0 120.25 43 | 591.87 3928.0 120.28 44 | 619.17 3928.0 120.34 45 | 644.25 3928.0 120.38 46 | 668.02 3928.0 120.41 47 | 690.27 3928.0 120.42 48 | 710.91 3928.0 120.45 49 | 730.58 3928.0 120.48 50 | 748.82 3928.0 120.49 51 | 765.32 3928.0 120.51 52 | 780.97 3928.0 120.53 53 | 795.76 3928.0 120.54 54 | 809.58 3928.0 120.55 55 | 822.65 3928.0 120.56 56 | 834.92 3928.0 120.56 57 | 846.39 3928.0 120.58 58 | 857.18 3928.0 120.6 59 | 867.42 3928.0 120.61 60 | 877.44 3928.0 120.63 61 | 886.65 3928.0 120.63 62 | 940.73 3928.0 120.61 63 | 994.02 3928.0 120.58 64 | 1045.6 3928.0 120.56 65 | 1096.7 3928.0 120.52 66 | 1146.5 3928.0 120.48 67 | 1195.0 3928.0 120.41 68 | 1242.7 3928.0 120.38 69 | 1288.9 3928.0 120.32 70 | 1339.0 3928.0 120.24 71 | 1389.0 3928.0 120.14 72 | 1438.9 3928.0 120.06 73 | 1489.5 3928.0 119.97 74 | 1540.0 3928.0 119.86 75 | 1590.4 3928.0 119.73 76 | 1640.6 3928.0 119.61 77 | 1691.0 3928.0 119.49 78 | 1741.2 3928.0 119.32 79 | 1791.4 3928.0 119.26 80 | 1841.6 3928.0 119.09 81 | 1892.1 3928.0 118.91 82 | 1942.1 3928.0 118.77 83 | 1992.5 3928.0 118.58 84 | 2042.7 3928.0 118.36 85 | 2092.6 3928.0 118.2 86 | 2142.5 3928.0 118.02 87 | 2192.8 3928.0 117.83 88 | 2243.3 3928.0 117.56 89 | 2293.4 3928.0 117.36 90 | 2343.7 3928.0 117.15 91 | 2394.1 3928.0 116.9 92 | 2444.4 3928.0 116.62 93 | 2494.4 3928.0 116.34 94 | 2544.4 3928.0 116.12 95 | 2594.3 3928.0 115.88 96 | 2644.4 3928.0 115.63 97 | 2694.5 3928.0 115.32 98 | 2744.7 3928.0 115.02 99 | 2794.6 3928.0 114.71 100 | 2844.7 3928.0 114.37 101 | 2894.8 3928.0 114.02 102 | 2944.9 3928.0 113.61 103 | 2995.0 3928.0 113.22 104 | 3045.0 3928.0 112.77 105 | -------------------------------------------------------------------------------- /test/database/DMOF/ASch082C_Zntmbdcdabco_C2H6_Exp190819a.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DMOF/ASch082C_Zntmbdcdabco_C2H6_Exp190819a.csv -------------------------------------------------------------------------------- /test/database/DMOF/Asch065B_C2H6_298K_Exp190327a.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'noro' 3 | _exptl_date 2019-03-27T00:00:00 4 | _exptl_instrument 'BEL 00508' 5 | _exptl_adsorptive 'C2H6' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0827 8 | _adsnt_sample_id 'Asch065B' 9 | _adsnt_material_id 'DMOF' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'cm^3(STP) g^-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.4422 6098.0 0.8493 21 | 1.3224 6098.0 2.5599 22 | 1.8294 6098.0 3.5481 23 | 2.7503 6098.0 5.3258 24 | 3.306 6098.0 6.4055 25 | 4.2714 6098.0 8.2667 26 | 4.8393 6098.0 9.3633 27 | 5.7804 6098.0 11.16 28 | 6.2672 6098.0 12.087 29 | 7.2164 6098.0 13.876 30 | 7.7397 6098.0 14.846 31 | 8.7092 6098.0 16.625 32 | 9.2689 6098.0 17.642 33 | 10.247 6098.0 19.405 34 | 10.782 6098.0 20.347 35 | 11.776 6098.0 22.083 36 | 12.384 6098.0 23.135 37 | 13.313 6098.0 24.705 38 | 13.857 6098.0 25.638 39 | 14.81 6098.0 27.188 40 | 15.394 6098.0 28.117 41 | 16.441 6098.0 29.774 42 | 16.915 6098.0 30.516 43 | 17.95 6098.0 32.086 44 | 18.404 6098.0 32.775 45 | 19.378 6098.0 34.2 46 | 19.929 6098.0 34.981 47 | 21.061 6098.0 36.572 48 | 21.609 6098.0 37.328 49 | 22.659 6098.0 38.741 50 | 23.13 6098.0 39.339 51 | 24.14 6098.0 40.656 52 | 24.614 6098.0 41.229 53 | 25.616 6098.0 42.464 54 | 26.079 6098.0 43.033 55 | 27.125 6098.0 44.23 56 | 27.653 6098.0 44.857 57 | 28.744 6098.0 46.071 58 | 29.997 6098.0 47.42 59 | 30.561 6098.0 48.026 60 | 31.681 6098.0 49.146 61 | 32.159 6098.0 49.636 62 | 33.226 6098.0 50.681 63 | 34.553 6098.0 51.936 64 | 35.108 6098.0 52.449 65 | 36.277 6098.0 53.476 66 | 37.684 6098.0 54.704 67 | 38.244 6098.0 55.174 68 | 39.38 6098.0 56.117 69 | 40.674 6098.0 57.145 70 | 41.14 6098.0 57.509 71 | 44.235 6098.0 59.819 72 | 45.387 6098.0 60.643 73 | 48.783 6098.0 62.989 74 | 49.914 6098.0 63.815 75 | 52.965 6098.0 66.485 76 | 54.287 6098.0 67.563 77 | 54.819 6098.0 68.029 78 | 57.861 6098.0 70.334 79 | 59.045 6098.0 71.201 80 | 59.488 6098.0 71.511 81 | 62.745 6098.0 73.597 82 | 63.804 6098.0 74.251 83 | 67.406 6098.0 76.223 84 | 68.513 6098.0 76.766 85 | 72.002 6098.0 78.431 86 | 72.975 6098.0 78.874 87 | 76.853 6098.0 80.46 88 | 77.867 6098.0 80.852 89 | 81.632 6098.0 82.215 90 | 82.496 6098.0 82.52 91 | 86.353 6098.0 83.741 92 | 87.144 6098.0 84.003 93 | 91.034 6098.0 85.116 94 | 91.801 6098.0 85.314 95 | 96.223 6098.0 86.459 96 | 100.87 6098.0 87.54 97 | 110.73 6098.0 89.496 98 | 114.92 6098.0 90.27 99 | 100 | loop_ 101 | _desorp_pressure 102 | _desorp_p0 103 | _desorp_amount 104 | 109.01 6098.0 89.21 105 | 100.46 6098.0 87.448 106 | 95.452 6098.0 86.245 107 | 90.803 6098.0 85.049 108 | 86.317 6098.0 83.758 109 | 81.891 6098.0 82.347 110 | 76.435 6098.0 80.364 111 | 72.76 6098.0 78.862 112 | 68.578 6098.0 76.922 113 | 67.45 6098.0 76.346 114 | 63.95 6098.0 74.453 115 | 62.907 6098.0 73.815 116 | 59.532 6098.0 71.714 117 | 58.473 6098.0 70.921 118 | 55.2 6098.0 68.501 119 | 54.032 6098.0 67.529 120 | 50.872 6098.0 64.794 121 | 49.521 6098.0 63.681 122 | 45.976 6098.0 61.178 123 | 44.726 6098.0 60.287 124 | 41.351 6098.0 57.779 125 | 40.163 6098.0 56.842 126 | 38.978 6098.0 55.885 127 | 37.615 6098.0 54.749 128 | 36.183 6098.0 53.506 129 | 34.727 6098.0 52.191 130 | 34.143 6098.0 51.678 131 | 33.052 6098.0 50.607 132 | 31.713 6098.0 49.304 133 | 31.166 6098.0 48.754 134 | 30.099 6098.0 47.628 135 | 28.784 6098.0 46.235 136 | 28.229 6098.0 45.6 137 | 27.154 6098.0 44.385 138 | 25.856 6098.0 42.878 139 | 25.267 6098.0 42.191 140 | 24.213 6098.0 40.879 141 | 23.726 6098.0 40.257 142 | 22.708 6098.0 38.94 143 | 21.454 6098.0 37.265 144 | 20.862 6098.0 36.442 145 | 19.954 6098.0 35.19 146 | 19.524 6098.0 34.564 147 | 18.558 6098.0 33.149 148 | 18.08 6098.0 32.434 149 | 17.106 6098.0 30.949 150 | 16.607 6098.0 30.185 151 | 15.633 6098.0 28.653 152 | 15.135 6098.0 27.849 153 | 14.165 6098.0 26.251 154 | 13.662 6098.0 25.411 155 | 12.689 6098.0 23.764 156 | 12.181 6098.0 22.883 157 | 11.22 6098.0 21.188 158 | 10.697 6098.0 20.275 159 | 9.7314 6098.0 18.544 160 | 9.2121 6098.0 17.6 161 | 8.9323 6098.0 17.086 162 | 8.1007 6098.0 15.537 163 | 7.6423 6098.0 14.694 164 | 6.7215 6098.0 12.944 165 | 6.2104 6098.0 11.983 166 | 5.9386 6098.0 11.456 167 | 5.1111 6098.0 9.8645 168 | 4.6568 6098.0 8.9875 169 | 3.7279 6098.0 7.196 170 | 3.2249 6098.0 6.2098 171 | 2.945 6098.0 5.6728 172 | 2.3041 6098.0 4.4326 173 | 1.8376 6098.0 3.5166 174 | 1.513 6098.0 2.8756 175 | 1.0709 6098.0 2.0102 176 | 0.6937 6098.0 1.2745 177 | -------------------------------------------------------------------------------- /test/database/DMOF/Asch065B_C2H6_298K_Exp190327a.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DMOF/Asch065B_C2H6_298K_Exp190327a.csv -------------------------------------------------------------------------------- /test/database/DUT-13/BF-010-DUT-13-CH4-190K-run1-export.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2019-08-23T00:00:00 4 | _exptl_instrument 'BEL HP-102' 5 | _exptl_adsorptive 'CH4' 6 | _exptl_temperature 190.0 7 | _adsnt_sample_mass 0.0289 8 | _adsnt_sample_id 'BF-010-DUT-13-CH4-190K-run1.DAT' 9 | _adsnt_material_id 'DUT-13' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'cm^3(STP) g^-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.8474 4518.6 1.5621 21 | 17.003 4518.6 41.423 22 | 33.471 4518.6 76.857 23 | 48.458 4518.6 107.64 24 | 62.77 4518.6 136.88 25 | 75.706 4518.6 162.75 26 | 87.576 4518.6 187.9 27 | 98.938 4518.6 205.79 28 | 109.35 4518.6 227.71 29 | 150.78 4518.6 308.27 30 | 193.05 4518.6 395.62 31 | 230.75 4518.6 468.89 32 | 283.51 4518.6 570.93 33 | 336.12 4518.6 676.44 34 | 389.17 4518.6 787.42 35 | 442.49 4518.6 897.19 36 | 494.81 4518.6 1000.1 37 | 547.68 4518.6 1106.8 38 | 599.75 4518.6 1210.8 39 | 651.8 4518.6 1311.5 40 | 704.73 4518.6 1412.7 41 | 755.86 4518.6 1512.0 42 | 807.44 4518.6 1608.8 43 | 859.65 4518.6 1701.4 44 | 911.28 4518.6 1800.9 45 | 962.71 4518.6 1889.5 46 | 1012.9 4518.6 1975.3 47 | 1196.5 4518.6 2288.9 48 | 1381.6 4518.6 2598.4 49 | 1562.2 4518.6 2908.7 50 | 1745.1 4518.6 3222.5 51 | 1929.4 4518.6 3550.8 52 | 2107.3 4518.6 3879.0 53 | 2287.6 4518.6 4222.6 54 | 2467.5 4518.6 4585.8 55 | 2642.8 4518.6 4962.7 56 | 2813.4 4518.6 5351.5 57 | 2985.3 4518.6 5764.2 58 | 3153.7 4518.6 6194.5 59 | 3324.7 4518.6 6658.1 60 | 3489.9 4518.6 7154.9 61 | 3646.9 4518.6 7675.6 62 | 3802.8 4518.6 8248.9 63 | 3952.4 4518.6 8878.1 64 | 4091.8 4518.6 9557.5 65 | 4227.1 4518.6 10343.0 66 | 67 | loop_ 68 | _desorp_pressure 69 | _desorp_p0 70 | _desorp_amount 71 | 4094.9 4518.6 9591.7 72 | 3958.4 4518.6 8925.9 73 | 3815.7 4518.6 8318.3 74 | 3666.9 4518.6 7759.7 75 | 3518.0 4518.6 7255.7 76 | 3362.6 4518.6 6779.9 77 | 3205.1 4518.6 6334.1 78 | 3043.6 4518.6 5913.3 79 | 2881.4 4518.6 5514.2 80 | 2714.1 4518.6 5127.2 81 | 2546.4 4518.6 4754.8 82 | 2380.6 4518.6 4410.9 83 | 2214.2 4518.6 4085.4 84 | 2045.8 4518.6 3773.9 85 | 1880.4 4518.6 3471.3 86 | 1711.6 4518.6 3167.8 87 | 1544.5 4518.6 2877.8 88 | 1375.8 4518.6 2591.5 89 | 1207.7 4518.6 2310.0 90 | 1042.0 4518.6 2031.7 91 | 876.82 4518.6 1740.0 92 | 821.12 4518.6 1636.0 93 | 765.4 4518.6 1534.0 94 | 708.81 4518.6 1433.4 95 | 653.84 4518.6 1323.2 96 | 598.5 4518.6 1216.2 97 | 543.87 4518.6 1110.6 98 | 489.77 4518.6 999.9 99 | 435.65 4518.6 893.08 100 | 382.31 4518.6 782.51 101 | 317.16 4518.6 656.02 102 | 253.54 4518.6 530.15 103 | 192.41 4518.6 408.9 104 | 136.47 4518.6 298.03 105 | 82.194 4518.6 186.84 106 | 63.319 4518.6 155.52 107 | 45.471 4518.6 119.13 108 | 28.116 4518.6 82.623 109 | 12.135 4518.6 48.386 110 | 5.3166 4518.6 2.5801 111 | 2.3731 4518.6 20.039 112 | 1.0822 4518.6 18.647 113 | 0.5116 4518.6 17.674 114 | -------------------------------------------------------------------------------- /test/database/DUT-13/BF001 (Raw Analysis Data).aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'service' 3 | _exptl_date 2018-12-21T00:00:00 4 | _exptl_instrument 'QuadraSorb Station 1' 5 | _exptl_adsorptive 'Nitrogen' 6 | _exptl_temperature 77.3 7 | _adsnt_sample_mass 0.0101 8 | _adsnt_sample_id 'BF001_80p_N2_77' 9 | _adsnt_material_id 'DUT-13' 10 | _units_temperature 'K' 11 | _units_pressure 'mmHg' 12 | _units_mass 'g' 13 | _units_loading 'cc' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 1.06 764.44 112.3960396039604 21 | 1.62 764.44 137.2079207920792 22 | 2.49 764.44 173.14851485148515 23 | 2.98 764.44 194.8019801980198 24 | 4.06 764.44 242.8811881188119 25 | 5.63 764.44 324.9009900990099 26 | 8.31 764.44 403.01980198019805 27 | 9.49 764.44 418.46534653465346 28 | 12.12 764.44 440.09900990099015 29 | 25.04 764.44 481.78217821782175 30 | 30.49 764.44 491.28712871287127 31 | 36.56 764.44 502.4950495049505 32 | 44.19 764.44 521.6633663366337 33 | 56.35 764.44 537.5247524752476 34 | 63.91 764.44 545.09900990099 35 | 72.56 764.44 552.3267326732673 36 | 80.38 764.44 558.0891089108911 37 | 88.66 764.44 564.1485148514852 38 | 93.22 764.44 567.8118811881188 39 | 104.36 764.44 576.2376237623763 40 | 113.59 764.44 584.2970297029703 41 | 116.42 764.44 588.0297029702971 42 | 121.37 764.44 593.3069306930694 43 | 130.35 764.44 603.6039603960396 44 | 136.74 764.44 613.2673267326733 45 | 144.6 764.44 627.2475247524753 46 | 149.44 764.44 639.0 47 | 189.22 764.44 816.6534653465347 48 | 227.81 764.44 1005.7227722772277 49 | 267.09 764.44 1106.4752475247526 50 | 305.78 764.44 1155.821782178218 51 | 341.66 764.44 1186.9603960396041 52 | 380.16 764.44 1210.90099009901 53 | 418.97 764.44 1229.2970297029703 54 | 457.54 764.44 1248.3663366336634 55 | 495.75 764.44 1260.3960396039604 56 | 535.35 764.44 1272.4455445544554 57 | 572.51 764.44 1282.1782178217823 58 | 612.46 764.44 1292.3960396039604 59 | 690.38 764.44 1310.2178217821784 60 | 698.14 764.44 1311.5940594059407 61 | 728.35 764.44 1318.792079207921 62 | 740.87 764.44 1322.039603960396 63 | 64 | loop_ 65 | _desorp_pressure 66 | _desorp_p0 67 | _desorp_amount 68 | 715.88 764.44 1319.6633663366338 69 | 680.09 764.44 1315.009900990099 70 | 639.72 764.44 1309.3366336633662 71 | 603.8 764.44 1304.5544554455446 72 | 566.75 764.44 1299.7920792079208 73 | 527.43 764.44 1293.7425742574258 74 | 489.16 764.44 1288.1485148514853 75 | 451.51 764.44 1282.0099009900991 76 | 430.5 764.44 1277.851485148515 77 | 409.27 764.44 1273.5445544554457 78 | 389.38 764.44 1269.990099009901 79 | 369.39 764.44 1265.6039603960396 80 | 350.73 764.44 1261.5742574257426 81 | 335.04 764.44 1258.1386138613861 82 | 315.31 764.44 1253.4653465346535 83 | 298.1 764.44 1248.90099009901 84 | 275.19 764.44 1242.4851485148515 85 | 258.52 764.44 1237.6237623762377 86 | 237.13 764.44 1230.5742574257426 87 | 222.25 764.44 1225.069306930693 88 | 203.72 764.44 1218.0594059405942 89 | 183.05 764.44 1209.4752475247526 90 | 160.28 764.44 1197.6138613861388 91 | 154.99 764.44 1194.09900990099 92 | 129.62 764.44 1177.2277227722773 93 | 107.13 764.44 1157.128712871287 94 | 90.48 764.44 1136.3267326732673 95 | 74.07 764.44 1106.1287128712872 96 | 60.89 764.44 1049.0297029702972 97 | 35.88 764.44 528.950495049505 98 | 21.1 764.44 468.3267326732674 99 | 7.13 764.44 402.58415841584156 100 | 5.32 764.44 387.7722772277228 101 | 3.48 764.44 369.26732673267327 102 | 1.5 764.44 340.009900990099 103 | 1.04 764.44 328.970297029703 104 | 1.01 764.44 328.4257425742574 105 | 0.98 764.44 327.73267326732673 106 | 0.98 764.44 327.21782178217825 107 | -------------------------------------------------------------------------------- /test/database/DUT-13/BF001 (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-13/BF001 (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/DUT-13/BF001(Isotherm).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-13/BF001(Isotherm).txt -------------------------------------------------------------------------------- /test/database/DUT-13/BF010_DUT-13_CH4_111K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property Ver1.2.6 3 | ==================== 4 | "Instrument S/N:" 00218 5 | "Vs/ml:" 27.698 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" CH4 10 | "Meas. Temp./K:" 111.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.01830 19 | "Comment1:" "aus der Box" 20 | "Comment2:" "volodymyr" 21 | "Comment3:" "???" 22 | "Comment4:" ", Vacuum degree before measurement:7.517E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 19/04/30 29 | "Time of measurement:" 28:43:09 30 | "Not used:" 0.0000E+0 31 | "Average dead volume:" 3.7114E+1 32 | "Initial dead volume/ml:" 37.114 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 7.6024E-1 101.33 37.114 -5.1298E-1 38 | 2 1.5863 101.33 37.114 41.431 39 | 3 1.7857 101.33 37.114 88.873 40 | 4 1.9648 101.33 37.114 128.54 41 | 5 1.9933 101.33 37.114 170.08 42 | 6 2.0706 101.33 37.114 208.77 43 | 7 2.4003 101.33 37.114 274.69 44 | 8 2.8642 101.33 37.114 323.38 45 | 9 5.1594 101.33 37.114 365.53 46 | 10 5.9325 101.33 37.114 380.14 47 | 11 7.8574 101.33 37.114 397.20 48 | 12 8.8910 101.33 37.114 408.00 49 | 13 9.9531 101.33 37.114 413.92 50 | 14 10.970 101.33 37.114 419.14 51 | 15 12.000 101.33 37.114 423.78 52 | 16 13.021 101.33 37.114 427.96 53 | 17 13.945 101.33 37.114 432.22 54 | 18 16.277 101.33 37.114 439.23 55 | 19 18.775 101.33 37.114 449.75 56 | 20 21.290 101.33 37.114 462.96 57 | 21 26.226 101.33 37.114 512.81 58 | 22 28.631 101.33 37.114 545.42 59 | 23 31.122 101.33 37.114 586.38 60 | 24 33.661 101.33 37.114 632.48 61 | 25 36.245 101.33 37.114 677.70 62 | 26 38.846 101.33 37.114 716.18 63 | 27 41.503 101.33 37.114 758.14 64 | 28 44.071 101.33 37.114 782.85 65 | 29 46.528 101.33 37.114 790.33 66 | 30 48.942 101.33 37.114 801.47 67 | 31 51.192 101.33 37.114 812.47 68 | 32 53.703 101.33 37.114 823.61 69 | 33 56.144 101.33 37.114 833.83 70 | 34 58.781 101.33 37.114 843.24 71 | 35 61.430 101.33 37.114 851.81 72 | 36 63.953 101.33 37.114 860.50 73 | 37 66.517 101.33 37.114 867.73 74 | 38 69.142 101.33 37.114 875.18 75 | 39 71.669 101.33 37.114 882.35 76 | 40 74.294 101.33 37.114 889.49 77 | 41 76.841 101.33 37.114 895.49 78 | 42 79.401 101.33 37.114 901.13 79 | 43 81.818 101.33 37.114 906.87 80 | 44 84.345 101.33 37.114 912.55 81 | 45 86.872 101.33 37.114 919.14 82 | 46 89.383 101.33 37.114 926.07 83 | 47 91.593 101.33 37.114 940.45 84 | 48 91.967 101.33 37.114 1027.0 85 | 49 91.983 101.33 37.114 1109.8 86 | 50 91.991 101.33 37.114 1192.4 87 | 51 91.991 101.33 37.114 1274.7 88 | 52 91.999 101.33 37.114 1355.8 89 | 53 92.004 101.33 37.114 1436.4 90 | 54 92.004 101.33 37.114 1518.1 91 | 55 91.995 101.33 37.114 1600.0 92 | 0 0 0 0 0 93 | ==================== 94 | Desorption data 95 | ==================== 96 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 97 | 1 91.645 101.33 37.114 1508.7 98 | 2 91.544 101.33 37.114 1417.8 99 | 3 91.405 101.33 37.114 1333.0 100 | 4 91.247 101.33 37.114 1257.1 101 | 5 90.563 101.33 37.114 1215.7 102 | 6 89.057 101.33 37.114 1133.1 103 | 7 88.235 101.33 37.114 1084.1 104 | 8 85.834 101.33 37.114 1021.6 105 | 9 83.088 101.33 37.114 946.76 106 | 10 80.211 101.33 37.114 931.82 107 | 11 77.749 101.33 37.114 928.73 108 | 12 75.213 101.33 37.114 925.81 109 | 13 72.686 101.33 37.114 922.63 110 | 14 70.070 101.33 37.114 919.79 111 | 15 67.530 101.33 37.114 916.99 112 | 16 64.894 101.33 37.114 914.13 113 | 17 62.366 101.33 37.114 911.11 114 | 18 59.843 101.33 37.114 908.32 115 | 19 57.508 101.33 37.114 905.44 116 | 20 54.883 101.33 37.114 902.22 117 | 21 52.160 101.33 37.114 898.68 118 | 22 49.926 101.33 37.114 895.90 119 | 23 47.407 101.33 37.114 892.66 120 | 24 44.978 101.33 37.114 889.05 121 | 25 42.467 101.33 37.114 885.16 122 | 26 39.969 101.33 37.114 879.14 123 | 27 37.511 101.33 37.114 874.31 124 | 28 34.996 101.33 37.114 869.51 125 | 29 32.465 101.33 37.114 864.73 126 | 30 29.942 101.33 37.114 859.13 127 | 31 27.415 101.33 37.114 852.92 128 | 32 25.022 101.33 37.114 845.79 129 | 33 19.907 101.33 37.114 824.07 130 | 34 17.502 101.33 37.114 814.96 131 | 35 14.938 101.33 37.114 787.47 132 | 36 12.590 101.33 37.114 738.91 133 | 37 11.821 101.33 37.114 678.36 134 | 38 11.471 101.33 37.114 624.37 135 | 39 11.105 101.33 37.114 574.16 136 | 40 10.409 101.33 37.114 532.67 137 | 41 9.7333 101.33 37.114 488.79 138 | 42 9.0253 101.33 37.114 479.52 139 | 43 8.2073 101.33 37.114 457.21 140 | 44 7.5115 101.33 37.114 450.05 141 | 45 6.7383 101.33 37.114 440.25 142 | 46 4.8582 101.33 37.114 413.02 143 | 47 4.1827 101.33 37.114 401.30 144 | 48 2.0910 101.33 37.114 368.77 145 | 49 1.3706 101.33 37.114 351.31 146 | 50 4.8379E-1 101.33 37.114 300.33 147 | 51 2.5759E-1 101.33 37.114 272.51 148 | 52 1.1257E-1 101.33 37.114 222.46 149 | 53 5.3996E-2 101.33 37.114 172.23 150 | 54 2.4599E-2 101.33 37.114 125.64 151 | 0 0 0 0 0 152 | -------------------------------------------------------------------------------- /test/database/DUT-13/BF010_DUT-13_CH4_111K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'volodymyr' 3 | _exptl_date 2019-04-30T00:00:00 4 | _exptl_instrument 'BEL 00218' 5 | _exptl_adsorptive 'CH4' 6 | _exptl_temperature 111.0 7 | _adsnt_sample_mass 0.0183 8 | _adsnt_sample_id 'aus der Box' 9 | _adsnt_material_id 'DUT-13' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.76024 101.33 -0.51298 21 | 1.5863 101.33 41.431 22 | 1.7857 101.33 88.873 23 | 1.9648 101.33 128.54 24 | 1.9933 101.33 170.08 25 | 2.0706 101.33 208.77 26 | 2.4003 101.33 274.69 27 | 2.8642 101.33 323.38 28 | 5.1594 101.33 365.53 29 | 5.9325 101.33 380.14 30 | 7.8574 101.33 397.2 31 | 8.891 101.33 408.0 32 | 9.9531 101.33 413.92 33 | 10.97 101.33 419.14 34 | 12.0 101.33 423.78 35 | 13.021 101.33 427.96 36 | 13.945 101.33 432.22 37 | 16.277 101.33 439.23 38 | 18.775 101.33 449.75 39 | 21.29 101.33 462.96 40 | 26.226 101.33 512.81 41 | 28.631 101.33 545.42 42 | 31.122 101.33 586.38 43 | 33.661 101.33 632.48 44 | 36.245 101.33 677.7 45 | 38.846 101.33 716.18 46 | 41.503 101.33 758.14 47 | 44.071 101.33 782.85 48 | 46.528 101.33 790.33 49 | 48.942 101.33 801.47 50 | 51.192 101.33 812.47 51 | 53.703 101.33 823.61 52 | 56.144 101.33 833.83 53 | 58.781 101.33 843.24 54 | 61.43 101.33 851.81 55 | 63.953 101.33 860.5 56 | 66.517 101.33 867.73 57 | 69.142 101.33 875.18 58 | 71.669 101.33 882.35 59 | 74.294 101.33 889.49 60 | 76.841 101.33 895.49 61 | 79.401 101.33 901.13 62 | 81.818 101.33 906.87 63 | 84.345 101.33 912.55 64 | 86.872 101.33 919.14 65 | 89.383 101.33 926.07 66 | 91.593 101.33 940.45 67 | 91.967 101.33 1027.0 68 | 91.983 101.33 1109.8 69 | 91.991 101.33 1192.4 70 | 91.991 101.33 1274.7 71 | 91.999 101.33 1355.8 72 | 92.004 101.33 1436.4 73 | 92.004 101.33 1518.1 74 | 91.995 101.33 1600.0 75 | 76 | loop_ 77 | _desorp_pressure 78 | _desorp_p0 79 | _desorp_amount 80 | 91.645 101.33 1508.7 81 | 91.544 101.33 1417.8 82 | 91.405 101.33 1333.0 83 | 91.247 101.33 1257.1 84 | 90.563 101.33 1215.7 85 | 89.057 101.33 1133.1 86 | 88.235 101.33 1084.1 87 | 85.834 101.33 1021.6 88 | 83.088 101.33 946.76 89 | 80.211 101.33 931.82 90 | 77.749 101.33 928.73 91 | 75.213 101.33 925.81 92 | 72.686 101.33 922.63 93 | 70.07 101.33 919.79 94 | 67.53 101.33 916.99 95 | 64.894 101.33 914.13 96 | 62.366 101.33 911.11 97 | 59.843 101.33 908.32 98 | 57.508 101.33 905.44 99 | 54.883 101.33 902.22 100 | 52.16 101.33 898.68 101 | 49.926 101.33 895.9 102 | 47.407 101.33 892.66 103 | 44.978 101.33 889.05 104 | 42.467 101.33 885.16 105 | 39.969 101.33 879.14 106 | 37.511 101.33 874.31 107 | 34.996 101.33 869.51 108 | 32.465 101.33 864.73 109 | 29.942 101.33 859.13 110 | 27.415 101.33 852.92 111 | 25.022 101.33 845.79 112 | 19.907 101.33 824.07 113 | 17.502 101.33 814.96 114 | 14.938 101.33 787.47 115 | 12.59 101.33 738.91 116 | 11.821 101.33 678.36 117 | 11.471 101.33 624.37 118 | 11.105 101.33 574.16 119 | 10.409 101.33 532.67 120 | 9.7333 101.33 488.79 121 | 9.0253 101.33 479.52 122 | 8.2073 101.33 457.21 123 | 7.5115 101.33 450.05 124 | 6.7383 101.33 440.25 125 | 4.8582 101.33 413.02 126 | 4.1827 101.33 401.3 127 | 2.091 101.33 368.77 128 | 1.3706 101.33 351.31 129 | 0.48379 101.33 300.33 130 | 0.25759 101.33 272.51 131 | 0.11257 101.33 222.46 132 | 0.053996 101.33 172.23 133 | 0.024599 101.33 125.64 134 | -------------------------------------------------------------------------------- /test/database/DUT-13/BF010_DUT-13_CH4_111K_run2.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property Ver1.2.6 3 | ==================== 4 | "Instrument S/N:" 00218 5 | "Vs/ml:" 27.698 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" CH4 10 | "Meas. Temp./K:" 111.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.01830 19 | "Comment1:" "aus der Box" 20 | "Comment2:" "volodymyr" 21 | "Comment3:" "???" 22 | "Comment4:" ", Vacuum degree before measurement:2.622E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 19/05/02 29 | "Time of measurement:" 23:41:56 30 | "Not used:" 0.0000E+0 31 | "Average dead volume:" 3.7145E+1 32 | "Initial dead volume/ml:" 37.145 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 7.5613E-1 101.33 37.145 37.568 38 | 2 1.5497 101.33 37.145 80.218 39 | 3 1.5985 101.33 37.145 134.50 40 | 4 1.6677 101.33 37.145 186.64 41 | 5 1.9038 101.33 37.145 231.44 42 | 6 2.5752 101.33 37.145 278.04 43 | 7 3.2956 101.33 37.145 290.51 44 | 8 5.3140 101.33 37.145 323.53 45 | 9 7.7231 101.33 37.145 340.94 46 | 10 8.6468 101.33 37.145 350.71 47 | 11 9.6926 101.33 37.145 354.79 48 | 12 10.734 101.33 37.145 357.86 49 | 13 11.756 101.33 37.145 360.66 50 | 14 13.030 101.33 37.145 363.30 51 | 15 13.953 101.33 37.145 365.47 52 | 16 16.338 101.33 37.145 368.68 53 | 17 18.893 101.33 37.145 372.20 54 | 18 21.421 101.33 37.145 375.52 55 | 19 26.430 101.33 37.145 380.06 56 | 20 28.937 101.33 37.145 383.19 57 | 21 31.456 101.33 37.145 386.15 58 | 22 33.987 101.33 37.145 389.99 59 | 23 36.510 101.33 37.145 395.33 60 | 24 39.077 101.33 37.145 402.14 61 | 25 41.470 101.33 37.145 410.37 62 | 26 43.993 101.33 37.145 418.92 63 | 27 46.520 101.33 37.145 428.32 64 | 28 48.966 101.33 37.145 437.79 65 | 29 51.196 101.33 37.145 447.89 66 | 30 53.739 101.33 37.145 458.26 67 | 31 56.140 101.33 37.145 469.15 68 | 32 58.773 101.33 37.145 479.88 69 | 33 61.414 101.33 37.145 490.85 70 | 34 63.978 101.33 37.145 501.67 71 | 35 66.476 101.33 37.145 512.56 72 | 36 69.122 101.33 37.145 522.54 73 | 37 71.665 101.33 37.145 532.33 74 | 38 74.282 101.33 37.145 542.55 75 | 39 76.821 101.33 37.145 551.82 76 | 40 79.340 101.33 37.145 561.80 77 | 41 81.814 101.33 37.145 570.55 78 | 42 84.304 101.33 37.145 579.69 79 | 43 86.835 101.33 37.145 588.62 80 | 44 89.297 101.33 37.145 599.83 81 | 45 91.458 101.33 37.145 643.24 82 | 46 91.702 101.33 37.145 734.96 83 | 47 91.747 101.33 37.145 823.11 84 | 48 91.755 101.33 37.145 911.73 85 | 49 91.755 101.33 37.145 1001.0 86 | 50 91.768 101.33 37.145 1088.6 87 | 51 91.768 101.33 37.145 1176.8 88 | 52 91.772 101.33 37.145 1265.3 89 | 53 91.763 101.33 37.145 1353.0 90 | 0 0 0 0 0 91 | ==================== 92 | Desorption data 93 | ==================== 94 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 95 | 1 91.470 101.33 37.145 1271.2 96 | 2 91.405 101.33 37.145 1188.5 97 | 3 91.344 101.33 37.145 1109.6 98 | 4 91.255 101.33 37.145 1036.8 99 | 5 90.917 101.33 37.145 976.42 100 | 6 89.086 101.33 37.145 894.27 101 | 7 88.276 101.33 37.145 845.83 102 | 8 85.924 101.33 37.145 780.92 103 | 9 83.279 101.33 37.145 687.75 104 | 10 80.341 101.33 37.145 617.62 105 | 11 77.724 101.33 37.145 614.50 106 | 12 75.197 101.33 37.145 610.78 107 | 13 72.670 101.33 37.145 608.77 108 | 14 70.053 101.33 37.145 605.86 109 | 15 67.518 101.33 37.145 603.23 110 | 16 64.877 101.33 37.145 600.95 111 | 17 62.354 101.33 37.145 598.16 112 | 18 59.835 101.33 37.145 595.20 113 | 19 57.499 101.33 37.145 592.71 114 | 20 54.883 101.33 37.145 589.34 115 | 21 52.156 101.33 37.145 586.25 116 | 22 49.918 101.33 37.145 583.26 117 | 23 47.399 101.33 37.145 580.31 118 | 24 44.970 101.33 37.145 576.80 119 | 25 42.459 101.33 37.145 572.90 120 | 26 39.956 101.33 37.145 567.25 121 | 27 37.499 101.33 37.145 562.37 122 | 28 34.976 101.33 37.145 557.66 123 | 29 32.453 101.33 37.145 552.32 124 | 30 29.934 101.33 37.145 546.64 125 | 31 27.423 101.33 37.145 539.53 126 | 32 25.018 101.33 37.145 531.16 127 | 33 19.996 101.33 37.145 502.39 128 | 34 17.359 101.33 37.145 465.64 129 | 35 14.808 101.33 37.145 418.08 130 | 36 12.391 101.33 37.145 379.64 131 | 37 11.487 101.33 37.145 374.95 132 | 38 10.714 101.33 37.145 371.39 133 | 39 9.9612 101.33 37.145 368.28 134 | 40 9.1921 101.33 37.145 365.57 135 | 41 8.4434 101.33 37.145 362.65 136 | 42 7.4708 101.33 37.145 359.01 137 | 43 6.6569 101.33 37.145 355.32 138 | 44 4.8989 101.33 37.145 346.47 139 | 45 4.1461 101.33 37.145 335.10 140 | 46 2.0340 101.33 37.145 308.20 141 | 47 1.5415 101.33 37.145 302.75 142 | 48 4.0268E-1 101.33 37.145 251.44 143 | 49 1.3516E-1 101.33 37.145 201.46 144 | 50 6.6596E-2 101.33 37.145 151.48 145 | 51 2.6421E-2 101.33 37.145 101.67 146 | 0 0 0 0 0 147 | -------------------------------------------------------------------------------- /test/database/DUT-13/BF010_DUT-13_CH4_111K_run2.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'volodymyr' 3 | _exptl_date 2019-05-02T00:00:00 4 | _exptl_instrument 'BEL 00218' 5 | _exptl_adsorptive 'CH4' 6 | _exptl_temperature 111.0 7 | _adsnt_sample_mass 0.0183 8 | _adsnt_sample_id 'aus der Box' 9 | _adsnt_material_id 'DUT-13' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.75613 101.33 37.568 21 | 1.5497 101.33 80.218 22 | 1.5985 101.33 134.5 23 | 1.6677 101.33 186.64 24 | 1.9038 101.33 231.44 25 | 2.5752 101.33 278.04 26 | 3.2956 101.33 290.51 27 | 5.314 101.33 323.53 28 | 7.7231 101.33 340.94 29 | 8.6468 101.33 350.71 30 | 9.6926 101.33 354.79 31 | 10.734 101.33 357.86 32 | 11.756 101.33 360.66 33 | 13.03 101.33 363.3 34 | 13.953 101.33 365.47 35 | 16.338 101.33 368.68 36 | 18.893 101.33 372.2 37 | 21.421 101.33 375.52 38 | 26.43 101.33 380.06 39 | 28.937 101.33 383.19 40 | 31.456 101.33 386.15 41 | 33.987 101.33 389.99 42 | 36.51 101.33 395.33 43 | 39.077 101.33 402.14 44 | 41.47 101.33 410.37 45 | 43.993 101.33 418.92 46 | 46.52 101.33 428.32 47 | 48.966 101.33 437.79 48 | 51.196 101.33 447.89 49 | 53.739 101.33 458.26 50 | 56.14 101.33 469.15 51 | 58.773 101.33 479.88 52 | 61.414 101.33 490.85 53 | 63.978 101.33 501.67 54 | 66.476 101.33 512.56 55 | 69.122 101.33 522.54 56 | 71.665 101.33 532.33 57 | 74.282 101.33 542.55 58 | 76.821 101.33 551.82 59 | 79.34 101.33 561.8 60 | 81.814 101.33 570.55 61 | 84.304 101.33 579.69 62 | 86.835 101.33 588.62 63 | 89.297 101.33 599.83 64 | 91.458 101.33 643.24 65 | 91.702 101.33 734.96 66 | 91.747 101.33 823.11 67 | 91.755 101.33 911.73 68 | 91.755 101.33 1001.0 69 | 91.768 101.33 1088.6 70 | 91.768 101.33 1176.8 71 | 91.772 101.33 1265.3 72 | 91.763 101.33 1353.0 73 | 74 | loop_ 75 | _desorp_pressure 76 | _desorp_p0 77 | _desorp_amount 78 | 91.47 101.33 1271.2 79 | 91.405 101.33 1188.5 80 | 91.344 101.33 1109.6 81 | 91.255 101.33 1036.8 82 | 90.917 101.33 976.42 83 | 89.086 101.33 894.27 84 | 88.276 101.33 845.83 85 | 85.924 101.33 780.92 86 | 83.279 101.33 687.75 87 | 80.341 101.33 617.62 88 | 77.724 101.33 614.5 89 | 75.197 101.33 610.78 90 | 72.67 101.33 608.77 91 | 70.053 101.33 605.86 92 | 67.518 101.33 603.23 93 | 64.877 101.33 600.95 94 | 62.354 101.33 598.16 95 | 59.835 101.33 595.2 96 | 57.499 101.33 592.71 97 | 54.883 101.33 589.34 98 | 52.156 101.33 586.25 99 | 49.918 101.33 583.26 100 | 47.399 101.33 580.31 101 | 44.97 101.33 576.8 102 | 42.459 101.33 572.9 103 | 39.956 101.33 567.25 104 | 37.499 101.33 562.37 105 | 34.976 101.33 557.66 106 | 32.453 101.33 552.32 107 | 29.934 101.33 546.64 108 | 27.423 101.33 539.53 109 | 25.018 101.33 531.16 110 | 19.996 101.33 502.39 111 | 17.359 101.33 465.64 112 | 14.808 101.33 418.08 113 | 12.391 101.33 379.64 114 | 11.487 101.33 374.95 115 | 10.714 101.33 371.39 116 | 9.9612 101.33 368.28 117 | 9.1921 101.33 365.57 118 | 8.4434 101.33 362.65 119 | 7.4708 101.33 359.01 120 | 6.6569 101.33 355.32 121 | 4.8989 101.33 346.47 122 | 4.1461 101.33 335.1 123 | 2.034 101.33 308.2 124 | 1.5415 101.33 302.75 125 | 0.40268 101.33 251.44 126 | 0.13516 101.33 201.46 127 | 0.066596 101.33 151.48 128 | 0.026421 101.33 101.67 129 | -------------------------------------------------------------------------------- /test/database/DUT-23/NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2010-06-10T09:47:00 4 | _exptl_instrument 'Autosorb Station 1' 5 | _exptl_adsorptive 'Nitrogen' 6 | _exptl_temperature 77.35 7 | _adsnt_sample_mass 0.0279 8 | _adsnt_sample_id 'nk_Cu(bipy)(btb)_10-11_DMF-EtOH_CO2_84Pkt_N2' 9 | _adsnt_material_id 'DUT-23' 10 | _units_temperature 'K' 11 | _units_pressure 'Torr' 12 | _units_mass 'g' 13 | _units_loading 'cc' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.764796 757.8 132.18136200716845 21 | 1.51504 757.31 219.8247311827957 22 | 2.27804 757.1 366.31182795698925 23 | 3.03311 756.9 490.50896057347666 24 | 3.78743 756.9 571.2150537634408 25 | 4.55413 756.67 622.3978494623656 26 | 5.33445 756.59 656.1290322580645 27 | 6.0915 756.28 682.9068100358423 28 | 6.82528 755.84 701.7992831541219 29 | 7.60167 756.17 718.9605734767025 30 | 9.12008 756.24 747.9426523297491 31 | 16.3611 755.65 846.9390681003584 32 | 25.0209 755.96 962.9426523297491 33 | 37.8026 755.83 1095.5340501792114 34 | 49.505 755.95 1148.5698924731182 35 | 57.267 755.8 1165.2222222222222 36 | 70.3404 755.56 1183.573476702509 37 | 79.667 755.67 1193.189964157706 38 | 96.4782 755.15 1206.663082437276 39 | 114.879 755.15 1220.6021505376343 40 | 135.644 755.33 1231.179211469534 41 | 155.74 755.64 1239.4551971326166 42 | 175.397 755.74 1246.3405017921145 43 | 194.638 755.45 1252.2616487455196 44 | 213.877 755.37 1257.405017921147 45 | 233.145 755.72 1261.967741935484 46 | 252.17 754.99 1266.111111111111 47 | 271.165 755.03 1269.7921146953404 48 | 290.201 755.05 1273.1720430107528 49 | 309.289 755.41 1276.2437275985662 50 | 328.337 755.31 1279.0967741935483 51 | 347.327 755.09 1281.7562724014338 52 | 366.198 755.31 1284.143369175627 53 | 385.367 755.22 1286.4551971326164 54 | 421.738 755.41 1290.516129032258 55 | 459.483 755.9 1294.3906810035842 56 | 497.477 755.59 1297.9999999999998 57 | 535.332 756.06 1301.3405017921148 58 | 573.461 755.88 1304.4193548387098 59 | 611.228 755.63 1307.1541218637992 60 | 648.576 755.92 1309.6308243727597 61 | 686.525 756.0 1312.1720430107525 62 | 723.802 755.88 1315.0430107526881 63 | 743.73 755.27 1317.888888888889 64 | 752.151 755.56 1322.7455197132617 65 | 66 | loop_ 67 | _desorp_pressure 68 | _desorp_p0 69 | _desorp_amount 70 | 711.156 755.8 1314.0716845878135 71 | 672.68 755.19 1311.2437275985662 72 | 634.218 755.41 1308.6774193548385 73 | 596.443 755.32 1306.0824372759857 74 | 558.583 755.02 1303.2186379928314 75 | 520.841 755.34 1300.0609318996417 76 | 483.189 755.98 1296.6451612903224 77 | 445.757 755.22 1292.9820788530465 78 | 405.149 755.58 1290.437275985663 79 | 369.746 755.67 1286.0035842293905 80 | 351.755 755.75 1283.1326164874552 81 | 313.724 756.07 1276.9641577060931 82 | 295.211 755.92 1273.9784946236557 83 | 276.316 755.67 1270.7060931899641 84 | 257.572 755.71 1267.15770609319 85 | 238.822 756.02 1263.2043010752689 86 | 220.086 756.65 1258.8745519713261 87 | 201.543 756.38 1254.1075268817206 88 | 182.943 756.55 1248.6594982078852 89 | 145.68 756.09 1235.3118279569892 90 | 127.545 756.83 1227.0537634408602 91 | 109.532 756.39 1216.551971326165 92 | 74.5821 756.51 1188.4193548387095 93 | 66.6481 756.94 1178.921146953405 94 | 53.7063 756.41 1157.8853046594982 95 | 49.5779 757.08 1148.7240143369174 96 | 39.2937 757.19 1105.2114695340501 97 | 32.3527 756.96 1042.1505376344085 98 | 21.5076 757.72 918.2186379928315 99 | 13.9831 757.08 814.6379928315412 100 | 7.4521 756.47 718.0537634408602 101 | -------------------------------------------------------------------------------- /test/database/DUT-23/NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-23/NK_CU(BIPY)(BTB)_10-11_DMF-ETOH_CO2_84PKT_N2_N2 (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/DUT-49/DUT-49-SKDM017_SCD5dEtOH+act150C22h_N277K_run1.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Simon' 3 | _exptl_date 2016-04-19T00:00:00 4 | _exptl_instrument 'BEL 00218' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature 77.4 7 | _adsnt_sample_mass 0.017 8 | _adsnt_sample_id 'SKDM017_SCD5dEtOH+act150C22h_N277K_run1' 9 | _adsnt_material_id 'DUT-49' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.00069822 102.37 20.553 21 | 0.0034157 102.43 45.353 22 | 0.0088798 102.39 70.031 23 | 0.014163 102.33 94.263 24 | 0.019242 102.25 118.23 25 | 0.024403 102.3 142.02 26 | 0.029888 102.26 165.55 27 | 0.036268 102.2 188.81 28 | 0.04407 102.15 211.56 29 | 0.053578 102.09 233.71 30 | 0.066135 102.11 255.97 31 | 0.081779 101.99 276.87 32 | 0.10348 101.97 297.81 33 | 0.13465 101.95 318.74 34 | 0.18767 101.94 342.46 35 | 0.25525 101.93 362.37 36 | 0.35647 101.95 383.05 37 | 0.46379 102.01 399.29 38 | 0.56265 102.0 412.18 39 | 0.67111 102.01 425.95 40 | 0.7499 102.04 435.19 41 | 0.8753 102.1 449.09 42 | 0.96368 102.11 456.75 43 | 1.0585 102.12 464.77 44 | 1.3345 102.14 487.18 45 | 1.5787 102.11 506.02 46 | 1.8759 102.13 527.81 47 | 2.0754 102.15 542.04 48 | 2.4011 102.18 564.24 49 | 2.5517 102.16 574.66 50 | 2.9018 102.18 597.86 51 | 3.0647 102.22 608.56 52 | 3.4352 102.19 631.52 53 | 3.6021 102.23 641.47 54 | 3.9766 102.23 663.77 55 | 4.0743 102.24 669.43 56 | 4.4977 102.29 692.64 57 | 4.5954 102.29 698.15 58 | 5.027 102.3 721.4 59 | 5.4992 102.32 746.3 60 | 5.6173 102.26 752.14 61 | 6.0651 102.22 775.43 62 | 6.5537 102.26 800.19 63 | 7.0544 102.28 825.88 64 | 7.5592 102.23 852.12 65 | 8.0763 102.26 880.08 66 | 8.4345 102.28 901.07 67 | 8.5648 102.3 909.48 68 | 8.8946 102.32 932.03 69 | 9.1103 102.28 949.07 70 | 9.4645 102.33 982.45 71 | 15.303 102.32 922.5 72 | 16.043 102.34 957.94 73 | 17.757 102.34 966.97 74 | 18.698 102.28 971.48 75 | 19.716 102.34 976.02 76 | 20.766 102.35 980.75 77 | 22.008 102.23 1005.7 78 | 23.078 102.18 1014.9 79 | 25.639 102.31 1022.6 80 | 28.277 102.32 1030.8 81 | 30.801 102.39 1040.3 82 | 33.134 102.39 1054.9 83 | 34.771 102.35 1085.6 84 | 35.304 102.41 1108.9 85 | 35.894 102.42 1163.9 86 | 36.33 102.41 1212.0 87 | 36.717 102.43 1254.2 88 | 37.047 102.39 1291.7 89 | 37.344 102.44 1324.1 90 | 37.616 102.46 1352.7 91 | 37.897 102.45 1377.2 92 | 38.594 102.48 1431.2 93 | 39.172 102.48 1481.9 94 | 40.312 102.48 1543.5 95 | 41.728 102.41 1594.7 96 | 43.019 102.4 1625.3 97 | 46.418 102.35 1676.9 98 | 50.673 102.35 1709.1 99 | 54.365 102.37 1724.7 100 | 57.471 102.35 1732.9 101 | 62.678 102.35 1741.2 102 | 67.995 102.35 1747.0 103 | 73.296 102.27 1752.2 104 | 78.503 102.22 1757.0 105 | 83.677 102.26 1761.9 106 | 88.913 102.29 1767.2 107 | 94.091 102.4 1774.2 108 | 96.941 102.33 1779.6 109 | 110 | loop_ 111 | _desorp_pressure 112 | _desorp_p0 113 | _desorp_amount 114 | 92.5 102.25 1774.0 115 | 85.172 102.22 1764.5 116 | 75.295 102.28 1754.2 117 | 65.374 102.29 1744.2 118 | 55.542 102.28 1732.9 119 | 45.763 102.3 1718.4 120 | 40.336 102.32 1708.5 121 | 35.377 102.35 1698.2 122 | 30.586 102.24 1685.9 123 | 25.818 102.32 1670.7 124 | 20.115 102.4 1644.7 125 | 18.376 102.37 1614.5 126 | 16.89 102.31 1550.4 127 | 15.445 102.3 1518.2 128 | 14.317 102.33 1447.1 129 | 13.861 102.37 1385.5 130 | 12.599 102.28 1327.6 131 | 12.29 102.33 1314.6 132 | 11.577 102.33 1237.5 133 | 11.195 102.33 1172.0 134 | 10.926 102.31 1114.6 135 | 10.759 102.3 1062.3 136 | 10.641 102.34 1014.7 137 | 10.568 102.37 969.75 138 | 10.507 102.35 926.91 139 | 10.442 102.39 884.69 140 | 10.405 102.34 816.47 141 | 10.332 102.37 748.1 142 | 10.169 102.26 664.87 143 | 8.231 102.28 640.46 144 | 6.9201 102.38 635.28 145 | 5.8249 102.34 631.08 146 | 4.8316 102.28 626.64 147 | 3.8911 102.29 621.4 148 | 2.6291 102.39 611.23 149 | 1.7579 102.42 600.67 150 | 0.91845 102.23 581.25 151 | 0.73141 102.28 573.87 152 | 0.48768 102.33 559.72 153 | 0.30068 102.23 536.89 154 | 0.23375 102.25 494.74 155 | 0.11486 102.38 454.21 156 | 0.09783 102.36 447.77 157 | 0.068329 102.02 432.58 158 | 0.049352 102.07 416.53 159 | -------------------------------------------------------------------------------- /test/database/DUT-49/DUT-49_nbutane_273K_viele_Punkte.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Simon' 3 | _exptl_date 2015-07-04T00:00:00 4 | _exptl_instrument 'BEL 00349' 5 | _exptl_adsorptive 'C4H10' 6 | _exptl_temperature 273.15 7 | _adsnt_sample_mass 0.0049 8 | _adsnt_sample_id 'DUT-49_nbutane_273K_vielePunkte' 9 | _adsnt_material_id 'DUT-49' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0025129 101.33 -0.004087 21 | 0.043174 101.33 1.8084 22 | 0.086515 101.33 3.818 23 | 0.12757 101.33 5.9011 24 | 0.24304 101.33 13.185 25 | 0.32136 101.33 19.475 26 | 0.42382 101.33 27.45 27 | 0.52091 101.33 34.101 28 | 0.70985 101.33 43.158 29 | 0.93694 101.33 50.686 30 | 1.0387 101.33 53.46 31 | 1.7182 101.33 62.121 32 | 2.2235 101.33 70.716 33 | 2.3354 101.33 72.61 34 | 2.8549 101.33 79.866 35 | 3.4571 101.33 87.112 36 | 4.0902 101.33 94.397 37 | 4.6866 101.33 100.79 38 | 5.3213 101.33 107.14 39 | 5.9153 101.33 112.56 40 | 6.5468 101.33 118.34 41 | 7.1408 101.33 123.84 42 | 7.7547 101.33 129.56 43 | 8.3508 101.33 135.38 44 | 8.6993 101.33 138.97 45 | 8.9973 101.33 142.36 46 | 9.3051 101.33 145.65 47 | 9.6023 101.33 149.0 48 | 9.9085 101.33 152.97 49 | 10.031 101.33 154.87 50 | 10.23 101.33 157.23 51 | 10.681 101.33 163.6 52 | 11.005 101.33 176.47 53 | 11.164 101.33 182.04 54 | 12.202 101.33 188.29 55 | 13.312 101.33 189.47 56 | 14.481 101.33 190.54 57 | 15.493 101.33 191.51 58 | 16.519 101.33 192.18 59 | 17.517 101.33 193.04 60 | 18.512 101.33 193.71 61 | 19.504 101.33 194.61 62 | 20.53 101.33 195.31 63 | 21.516 101.33 196.27 64 | 22.443 101.33 197.38 65 | 23.459 101.33 198.38 66 | 24.476 101.33 199.14 67 | 25.482 101.33 199.78 68 | 26.502 101.33 200.61 69 | 27.511 101.33 201.5 70 | 28.524 101.33 202.26 71 | 29.541 101.33 203.22 72 | 30.559 101.33 203.96 73 | 32.586 101.33 205.41 74 | 35.605 101.33 207.7 75 | 37.681 101.33 209.57 76 | 40.676 101.33 212.11 77 | 42.738 101.33 214.06 78 | 45.741 101.33 216.75 79 | 47.807 101.33 218.94 80 | 50.763 101.33 223.09 81 | 52.751 101.33 227.99 82 | 55.489 101.33 245.2 83 | 55.859 101.33 248.93 84 | 57.626 101.33 260.86 85 | 57.861 101.33 265.46 86 | 60.272 101.33 292.09 87 | 60.749 101.33 302.25 88 | 64.194 101.33 372.31 89 | 65.492 101.33 393.7 90 | 65.84 101.33 403.02 91 | 69.598 101.33 460.46 92 | 70.728 101.33 475.57 93 | 70.992 101.33 481.81 94 | 75.282 101.33 517.33 95 | 76.008 101.33 526.13 96 | 80.647 101.33 551.22 97 | 81.178 101.33 556.79 98 | 85.977 101.33 572.96 99 | 86.289 101.33 577.02 100 | 91.145 101.33 590.6 101 | 96.238 101.33 604.11 102 | 96.437 101.33 607.62 103 | 104 | loop_ 105 | _desorp_pressure 106 | _desorp_p0 107 | _desorp_amount 108 | 96.088 101.33 609.26 109 | 91.075 101.33 604.62 110 | 86.028 101.33 599.4 111 | 80.977 101.33 593.64 112 | 75.925 101.33 588.24 113 | 70.877 101.33 582.82 114 | 65.817 101.33 577.27 115 | 60.762 101.33 571.8 116 | 55.7 101.33 566.44 117 | 50.642 101.33 560.87 118 | 45.594 101.33 554.59 119 | 40.531 101.33 548.1 120 | 35.45 101.33 540.54 121 | 30.391 101.33 531.95 122 | 28.266 101.33 527.78 123 | 26.338 101.33 521.78 124 | 24.328 101.33 513.02 125 | 22.471 101.33 496.24 126 | 22.33 101.33 486.71 127 | 22.212 101.33 481.07 128 | 21.2 101.33 440.89 129 | 20.384 101.33 426.88 130 | 20.263 101.33 422.53 131 | 18.447 101.33 410.72 132 | 18.253 101.33 401.95 133 | 17.478 101.33 346.35 134 | 17.122 101.33 309.11 135 | 16.871 101.33 280.1 136 | 16.611 101.33 254.62 137 | 16.41 101.33 238.23 138 | 16.299 101.33 227.41 139 | 16.184 101.33 217.7 140 | 14.483 101.33 199.64 141 | 14.154 101.33 198.43 142 | 12.135 101.33 196.39 143 | 10.631 101.33 194.42 144 | 10.12 101.33 193.66 145 | 10.007 101.33 193.14 146 | 9.8034 101.33 192.74 147 | 9.2078 101.33 191.16 148 | 8.2812 101.33 189.7 149 | 7.3883 101.33 187.55 150 | 6.465 101.33 184.08 151 | 5.2765 101.33 177.14 152 | 5.1927 101.33 174.58 153 | 4.0161 101.33 171.78 154 | -------------------------------------------------------------------------------- /test/database/DUT-49/DUT-49_nbutane_298K_viele_Punkte_hohe_masse.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00349 5 | "Vs/ml:" 24.464 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" C4H10 10 | "Meas. Temp./K:" 273.15 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.02700 19 | "Comment1:" "DUT-49_nbutane_298K_vielePunkte_hohemasse" 20 | "Comment2:" "Simon" 21 | "Comment3:" "3h 150�C" 22 | "Comment4:" ", Vacuum degree before measurement:4.386E-4Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 15/07/05 29 | "Time of measurement:" 19:04:56 30 | "Slope of dead volume:" 5.1720E-7 31 | "Intercept of dead volume:" 1.8154E+1 32 | "Average dead volume:" 1.8184E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 8.8035E-2 101.33 18.186 2.6935 38 | 2 2.1187E-1 101.33 18.186 6.0835 39 | 3 3.6954E-1 101.33 18.186 10.002 40 | 4 5.4820E-1 101.33 18.187 14.113 41 | 5 7.4299E-1 101.33 18.188 18.327 42 | 6 9.4960E-1 101.33 18.188 22.516 43 | 7 1.1226 101.33 18.189 25.755 44 | 8 1.8269 101.33 18.190 33.636 45 | 9 2.2621 101.33 18.190 38.601 46 | 10 3.0951 101.33 18.190 46.173 47 | 11 3.5955 101.33 18.190 49.961 48 | 12 4.1707 101.33 18.191 53.891 49 | 13 4.7969 101.33 18.191 57.837 50 | 14 5.4198 101.33 18.191 61.402 51 | 15 6.0557 101.33 18.191 64.937 52 | 16 6.6603 101.33 18.191 68.197 53 | 17 7.2942 101.33 18.190 71.394 54 | 18 7.9017 101.33 18.190 74.352 55 | 19 8.5331 101.33 18.190 77.329 56 | 20 8.9162 101.33 18.190 79.216 57 | 21 9.4789 101.33 18.190 81.800 58 | 22 9.8457 101.33 18.190 83.477 59 | 23 10.257 101.33 18.190 85.269 60 | 24 10.825 101.33 18.190 87.733 61 | 25 11.351 101.33 18.189 89.984 62 | 26 12.236 101.33 18.189 93.544 63 | 27 13.215 101.33 18.188 97.484 64 | 28 14.221 101.33 18.188 101.47 65 | 29 15.236 101.33 18.187 105.45 66 | 30 16.251 101.33 18.186 109.39 67 | 31 17.256 101.33 18.186 113.40 68 | 32 18.262 101.33 18.185 117.45 69 | 33 19.267 101.33 18.185 121.60 70 | 34 20.272 101.33 18.184 125.74 71 | 35 21.646 101.33 18.183 131.89 72 | 36 22.376 101.33 18.183 135.25 73 | 37 23.301 101.33 18.182 139.59 74 | 38 24.622 101.33 18.181 146.18 75 | 39 25.350 101.33 18.181 150.16 76 | 40 26.596 101.33 18.180 157.51 77 | 41 27.610 101.33 18.179 164.39 78 | 42 28.570 101.33 18.179 171.86 79 | 43 29.503 101.33 18.178 180.47 80 | 44 30.394 101.33 18.178 190.85 81 | 45 31.217 101.33 18.177 203.46 82 | 46 31.519 101.33 18.178 211.25 83 | 47 39.145 101.33 18.171 183.31 84 | 48 40.918 101.33 18.170 183.86 85 | 49 42.978 101.33 18.169 184.52 86 | 50 45.958 101.33 18.167 185.39 87 | 51 48.011 101.33 18.165 186.02 88 | 52 51.030 101.33 18.162 186.89 89 | 53 53.116 101.33 18.161 187.54 90 | 54 56.105 101.33 18.159 188.33 91 | 55 58.141 101.33 18.157 188.92 92 | 56 61.169 101.33 18.155 189.72 93 | 57 66.203 101.33 18.151 190.90 94 | 58 71.267 101.33 18.147 192.13 95 | 59 76.334 101.33 18.142 193.36 96 | 60 81.402 101.33 18.139 194.61 97 | 61 86.516 101.33 18.134 195.93 98 | 62 91.532 101.33 18.131 197.26 99 | 63 96.622 101.33 18.127 198.61 100 | 0 0 0 0 0 101 | ==================== 102 | Desorption data 103 | ==================== 104 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 105 | 1 95.846 101.33 18.128 198.97 106 | 2 90.826 101.33 18.132 198.47 107 | 3 85.788 101.33 18.136 197.81 108 | 4 80.737 101.33 18.141 197.02 109 | 5 75.681 101.33 18.145 196.14 110 | 6 70.637 101.33 18.149 195.15 111 | 7 65.580 101.33 18.154 194.16 112 | 8 60.530 101.33 18.158 193.02 113 | 9 55.472 101.33 18.163 191.85 114 | 10 50.418 101.33 18.167 190.60 115 | 11 45.364 101.33 18.171 189.29 116 | 12 40.304 101.33 18.176 187.80 117 | 13 35.255 101.33 18.181 186.13 118 | 14 31.175 101.33 18.184 184.41 119 | 15 30.187 101.33 18.185 183.93 120 | 16 29.178 101.33 18.186 183.42 121 | 17 28.156 101.33 18.187 182.92 122 | 18 27.143 101.33 18.188 182.47 123 | 19 26.133 101.33 18.189 182.00 124 | 20 25.125 101.33 18.190 181.47 125 | 21 24.111 101.33 18.191 180.95 126 | 22 23.106 101.33 18.193 180.49 127 | 23 22.097 101.33 18.194 179.94 128 | 24 20.117 101.33 18.195 178.84 129 | 25 18.099 101.33 18.197 177.62 130 | 26 16.091 101.33 18.199 176.29 131 | 27 14.084 101.33 18.201 174.70 132 | 28 12.095 101.33 18.203 172.83 133 | 29 10.562 101.33 18.204 171.12 134 | 30 9.9813 101.33 18.204 170.27 135 | 31 9.5396 101.33 18.204 169.60 136 | 32 8.9773 101.33 18.204 168.71 137 | 33 8.1211 101.33 18.205 167.29 138 | 34 7.2311 101.33 18.206 165.64 139 | 35 6.3517 101.33 18.206 163.75 140 | 36 5.2118 101.33 18.208 160.78 141 | 37 3.8601 101.33 18.209 155.76 142 | 38 2.3659 101.33 18.211 145.58 143 | 39 1.2973 101.33 18.213 132.00 144 | 40 1.0021 101.33 18.213 122.51 145 | 41 7.3206E-1 101.33 18.215 108.20 146 | 42 6.8181E-1 101.33 18.215 104.15 147 | 43 5.6152E-1 101.33 18.216 92.974 148 | 44 4.6269E-1 101.33 18.216 80.806 149 | 45 3.9264E-1 101.33 18.217 70.378 150 | 46 3.2790E-1 101.33 18.217 59.660 151 | 47 2.9627E-1 101.33 18.217 54.123 152 | 48 2.3381E-1 101.33 18.218 43.343 153 | 49 1.7344E-1 101.33 18.217 32.946 154 | 50 1.1183E-1 101.33 18.217 22.209 155 | 51 9.9794E-2 101.33 18.216 19.983 156 | 0 0 0 0 0 157 | -------------------------------------------------------------------------------- /test/database/DUT-49/DUT-49_nbutane_298K_viele_Punkte_hohe_masse.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Simon' 3 | _exptl_date 2015-07-05T00:00:00 4 | _exptl_instrument 'BEL 00349' 5 | _exptl_adsorptive 'C4H10' 6 | _exptl_temperature 273.15 7 | _adsnt_sample_mass 0.027 8 | _adsnt_sample_id 'DUT-49_nbutane_298K_vielePunkte_hohemasse' 9 | _adsnt_material_id 'DUT-49' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.088035 101.33 2.6935 21 | 0.21187 101.33 6.0835 22 | 0.36954 101.33 10.002 23 | 0.5482 101.33 14.113 24 | 0.74299 101.33 18.327 25 | 0.9496 101.33 22.516 26 | 1.1226 101.33 25.755 27 | 1.8269 101.33 33.636 28 | 2.2621 101.33 38.601 29 | 3.0951 101.33 46.173 30 | 3.5955 101.33 49.961 31 | 4.1707 101.33 53.891 32 | 4.7969 101.33 57.837 33 | 5.4198 101.33 61.402 34 | 6.0557 101.33 64.937 35 | 6.6603 101.33 68.197 36 | 7.2942 101.33 71.394 37 | 7.9017 101.33 74.352 38 | 8.5331 101.33 77.329 39 | 8.9162 101.33 79.216 40 | 9.4789 101.33 81.8 41 | 9.8457 101.33 83.477 42 | 10.257 101.33 85.269 43 | 10.825 101.33 87.733 44 | 11.351 101.33 89.984 45 | 12.236 101.33 93.544 46 | 13.215 101.33 97.484 47 | 14.221 101.33 101.47 48 | 15.236 101.33 105.45 49 | 16.251 101.33 109.39 50 | 17.256 101.33 113.4 51 | 18.262 101.33 117.45 52 | 19.267 101.33 121.6 53 | 20.272 101.33 125.74 54 | 21.646 101.33 131.89 55 | 22.376 101.33 135.25 56 | 23.301 101.33 139.59 57 | 24.622 101.33 146.18 58 | 25.35 101.33 150.16 59 | 26.596 101.33 157.51 60 | 27.61 101.33 164.39 61 | 28.57 101.33 171.86 62 | 29.503 101.33 180.47 63 | 30.394 101.33 190.85 64 | 31.217 101.33 203.46 65 | 31.519 101.33 211.25 66 | 39.145 101.33 183.31 67 | 40.918 101.33 183.86 68 | 42.978 101.33 184.52 69 | 45.958 101.33 185.39 70 | 48.011 101.33 186.02 71 | 51.03 101.33 186.89 72 | 53.116 101.33 187.54 73 | 56.105 101.33 188.33 74 | 58.141 101.33 188.92 75 | 61.169 101.33 189.72 76 | 66.203 101.33 190.9 77 | 71.267 101.33 192.13 78 | 76.334 101.33 193.36 79 | 81.402 101.33 194.61 80 | 86.516 101.33 195.93 81 | 91.532 101.33 197.26 82 | 96.622 101.33 198.61 83 | 84 | loop_ 85 | _desorp_pressure 86 | _desorp_p0 87 | _desorp_amount 88 | 95.846 101.33 198.97 89 | 90.826 101.33 198.47 90 | 85.788 101.33 197.81 91 | 80.737 101.33 197.02 92 | 75.681 101.33 196.14 93 | 70.637 101.33 195.15 94 | 65.58 101.33 194.16 95 | 60.53 101.33 193.02 96 | 55.472 101.33 191.85 97 | 50.418 101.33 190.6 98 | 45.364 101.33 189.29 99 | 40.304 101.33 187.8 100 | 35.255 101.33 186.13 101 | 31.175 101.33 184.41 102 | 30.187 101.33 183.93 103 | 29.178 101.33 183.42 104 | 28.156 101.33 182.92 105 | 27.143 101.33 182.47 106 | 26.133 101.33 182.0 107 | 25.125 101.33 181.47 108 | 24.111 101.33 180.95 109 | 23.106 101.33 180.49 110 | 22.097 101.33 179.94 111 | 20.117 101.33 178.84 112 | 18.099 101.33 177.62 113 | 16.091 101.33 176.29 114 | 14.084 101.33 174.7 115 | 12.095 101.33 172.83 116 | 10.562 101.33 171.12 117 | 9.9813 101.33 170.27 118 | 9.5396 101.33 169.6 119 | 8.9773 101.33 168.71 120 | 8.1211 101.33 167.29 121 | 7.2311 101.33 165.64 122 | 6.3517 101.33 163.75 123 | 5.2118 101.33 160.78 124 | 3.8601 101.33 155.76 125 | 2.3659 101.33 145.58 126 | 1.2973 101.33 132.0 127 | 1.0021 101.33 122.51 128 | 0.73206 101.33 108.2 129 | 0.68181 101.33 104.15 130 | 0.56152 101.33 92.974 131 | 0.46269 101.33 80.806 132 | 0.39264 101.33 70.378 133 | 0.3279 101.33 59.66 134 | 0.29627 101.33 54.123 135 | 0.23381 101.33 43.343 136 | 0.17344 101.33 32.946 137 | 0.11183 101.33 22.209 138 | 0.099794 101.33 19.983 139 | -------------------------------------------------------------------------------- /test/database/DUT-6/NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Nicole' 3 | _exptl_date 2009-09-17T19:56:00 4 | _exptl_instrument 'Autosorb Station 1' 5 | _exptl_adsorptive 'Nitrogen' 6 | _exptl_temperature 77.3 7 | _adsnt_sample_mass 0.0339 8 | _adsnt_sample_id 'nk_DUT-6_LP_N2_114pkt' 9 | _adsnt_material_id 'DUT-6' 10 | _units_temperature 'K' 11 | _units_pressure 'Torr' 12 | _units_mass 'g' 13 | _units_loading 'cc' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.00202042 764.02 0.1453392330383481 21 | 0.00204585 764.02 0.184188790560472 22 | 0.00205131 764.02 0.22253687315634219 23 | 0.00207502 764.02 0.2613274336283186 24 | 0.00209944 764.02 0.6463126843657817 25 | 0.00220469 764.02 0.7879941002949853 26 | 0.00236362 764.02 0.9446017699115045 27 | 0.0023736 764.02 1.0589675516224188 28 | 0.00241757 764.02 1.0969911504424779 29 | 0.00244495 764.02 1.1350442477876106 30 | 0.00249158 764.02 1.1730973451327433 31 | 0.00250007 764.02 1.211150442477876 32 | 0.00253589 764.02 1.2492330383480825 33 | 0.00257878 764.02 1.2871386430678466 34 | 0.00260701 764.02 1.3251327433628317 35 | 0.00265622 764.02 1.3631858407079647 36 | 0.00316571 764.02 1.633598820058997 37 | 0.00393819 764.02 1.9952212389380533 38 | 0.00488041 764.02 2.5448377581120942 39 | 0.00611023 764.02 3.2640117994100293 40 | 0.00770117 764.02 4.66094395280236 41 | 0.00966248 764.02 5.65047197640118 42 | 0.0121274 764.02 7.177758112094395 43 | 0.0152428 764.02 9.062300884955752 44 | 0.0192357 764.02 11.49896755162242 45 | 0.0242091 764.02 14.199380530973452 46 | 0.0304289 764.02 17.37929203539823 47 | 0.0384337 764.02 21.256017699115045 48 | 0.0529177 764.02 27.278908554572272 49 | 0.0649467 764.02 31.949262536873157 50 | 0.0729627 764.02 34.68171091445428 51 | 0.0931424 764.02 41.18200589970501 52 | 0.117951 764.02 47.947197640118 53 | 0.149129 764.02 54.9693215339233 54 | 0.188433 764.02 62.164896755162246 55 | 0.23911 764.02 69.65162241887906 56 | 0.304985 764.02 77.49085545722714 57 | 0.382857 764.02 84.96401179941003 58 | 0.485641 764.02 93.0991150442478 59 | 0.604655 764.02 101.10914454277287 60 | 0.7633 764.02 112.3188790560472 61 | 0.961343 764.02 123.2165191740413 62 | 1.21612 764.02 136.85162241887906 63 | 1.53198 764.02 152.7533923303835 64 | 1.91978 764.02 172.7017699115044 65 | 2.41631 764.02 197.64100294985252 66 | 3.05299 764.02 229.99144542772862 67 | 3.83117 764.02 272.04572271386434 68 | 4.85147 764.02 330.2153392330384 69 | 6.10258 764.02 409.4100294985251 70 | 6.15474 764.02 413.18289085545723 71 | 6.25204 764.02 419.834808259587 72 | 7.89477 764.02 539.29203539823 73 | 11.1794 764.02 660.7994100294985 74 | 15.4901 764.02 727.2684365781711 75 | 22.1953 764.02 785.150442477876 76 | 30.4033 764.02 836.1120943952802 77 | 39.2116 764.02 883.3126843657817 78 | 48.4632 764.02 931.8200589970502 79 | 56.7182 764.02 985.3185840707964 80 | 59.3675 764.02 1009.9941002949852 81 | 76.0247 764.02 1163.4601769911503 82 | 96.4361 764.02 1196.8171091445427 83 | 114.664 764.02 1210.740412979351 84 | 135.341 764.02 1222.0973451327434 85 | 156.04 764.02 1230.9557522123894 86 | 191.994 764.02 1242.6902654867258 87 | 231.354 764.02 1252.4985250737464 88 | 270.747 764.02 1260.2094395280237 89 | 309.796 764.02 1266.4277286135693 90 | 348.506 764.02 1271.6342182890858 91 | 387.059 764.02 1276.0825958702064 92 | 425.566 764.02 1279.9616519174042 93 | 463.903 764.02 1283.2949852507375 94 | 502.355 764.02 1286.2300884955753 95 | 540.76 764.02 1288.8554572271387 96 | 578.989 764.02 1291.2418879056047 97 | 617.288 764.02 1293.2536873156341 98 | 655.401 764.02 1295.1356932153392 99 | 693.634 764.02 1296.811209439528 100 | 731.879 764.02 1298.3746312684366 101 | 752.198 764.02 1299.259587020649 102 | 103 | loop_ 104 | _desorp_pressure 105 | _desorp_p0 106 | _desorp_amount 107 | 728.411 764.02 1298.2153392330385 108 | 680.565 764.02 1296.203539823009 109 | 641.952 764.02 1294.4070796460178 110 | 603.493 764.02 1292.4572271386432 111 | 565.466 764.02 1290.297935103245 112 | 527.14 764.02 1287.8171091445427 113 | 489.143 764.02 1285.0914454277286 114 | 450.799 764.02 1282.0324483775812 115 | 412.671 764.02 1278.5368731563422 116 | 374.735 764.02 1274.5309734513276 117 | 336.636 764.02 1269.9026548672566 118 | 298.707 764.02 1264.5250737463127 119 | 260.713 764.02 1258.1150442477876 120 | 222.893 764.02 1250.274336283186 121 | 185.435 764.02 1240.4277286135693 122 | 148.349 764.02 1227.5663716814158 123 | 130.155 764.02 1219.1386430678467 124 | 112.276 764.02 1208.7994100294984 125 | 95.2045 764.02 1194.9646017699117 126 | 76.383 764.02 1164.2153392330385 127 | 59.8313 764.02 1019.5073746312685 128 | 40.1433 764.02 890.5457227138643 129 | 21.5813 764.02 782.1799410029498 130 | 10.6046 764.02 660.3864306784661 131 | -------------------------------------------------------------------------------- /test/database/DUT-6/NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-6/NK_DUT-6_LP_N2_114PKT (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/DUT-60/ih_DUT-60_183b (Isotherm).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-60/ih_DUT-60_183b (Isotherm).txt -------------------------------------------------------------------------------- /test/database/DUT-60/ih_DUT-60_183b (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-60/ih_DUT-60_183b (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/DUT-67/DUT-67-N2_77K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property Ver1.2.6 3 | ==================== 4 | "Instrument S/N:" 00218 5 | "Vs/ml:" 27.698 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" N2 10 | "Meas. Temp./K:" 77.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 2 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.03870 19 | "Comment1:" "DUT67Zr" 20 | "Comment2:" "Simon" 21 | "Comment3:" "DMF 2NHCl" 22 | "Comment4:" "12 h 110 C, Vacuum degree before measurement:1.405E-4Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 16/03/05 29 | "Time of measurement:" 16:14:38 30 | "Not used:" 0.0000E+0 31 | "Average dead volume:" 2.5999E+1 32 | "Initial dead volume/ml:" 25.627 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 -3.3975E-3 100.01 25.471 23.222 38 | 2 -3.3975E-3 100.03 25.345 46.206 39 | 3 -6.7950E-3 99.969 25.249 69.232 40 | 4 -4.0983E-19 99.847 25.153 92.491 41 | 5 1.4870E-2 99.753 25.057 115.44 42 | 6 2.6983E-2 99.717 24.995 137.92 43 | 7 4.3134E-2 99.668 24.942 160.02 44 | 8 9.1586E-2 99.607 24.897 181.38 45 | 9 1.7638E-1 99.534 24.865 200.97 46 | 10 5.2362E-1 99.522 24.854 233.65 47 | 11 1.2383 99.538 24.844 259.56 48 | 12 2.9160 99.493 24.834 273.88 49 | 13 5.5484 99.448 24.838 281.75 50 | 14 7.9575 99.481 24.839 285.81 51 | 15 10.618 99.518 24.849 288.75 52 | 16 12.576 99.485 24.851 290.39 53 | 17 15.002 99.485 24.855 292.02 54 | 18 17.589 99.501 24.866 293.46 55 | 19 20.222 99.481 24.874 294.75 56 | 20 22.810 99.440 24.887 295.85 57 | 21 25.414 99.448 24.895 296.79 58 | 22 27.993 99.452 24.902 297.64 59 | 23 30.569 99.481 24.906 298.40 60 | 24 33.153 99.485 24.921 299.07 61 | 25 35.712 99.436 24.927 299.58 62 | 26 38.263 99.526 24.934 300.16 63 | 27 40.855 99.493 24.945 300.78 64 | 28 43.390 99.489 24.955 301.23 65 | 29 45.933 99.489 24.958 301.73 66 | 30 48.484 99.457 24.969 302.15 67 | 31 51.007 99.448 24.980 302.56 68 | 32 53.546 99.461 24.986 302.91 69 | 33 56.089 99.461 24.997 303.36 70 | 34 58.628 99.457 25.005 303.77 71 | 35 61.167 99.440 25.010 304.12 72 | 36 63.698 99.477 25.020 304.41 73 | 37 66.249 99.481 25.029 304.72 74 | 38 68.804 99.469 25.039 305.03 75 | 39 71.331 99.457 25.046 305.41 76 | 40 73.850 99.481 25.054 305.86 77 | 41 76.381 99.469 25.065 305.96 78 | 42 78.908 99.473 25.076 306.22 79 | 43 81.451 99.473 25.084 306.50 80 | 44 83.982 99.448 25.093 306.80 81 | 45 86.488 99.457 25.099 307.12 82 | 46 89.023 99.448 25.110 307.45 83 | 47 91.542 99.448 25.118 307.75 84 | 48 94.040 99.436 25.131 308.17 85 | 49 98.338 99.444 25.149 312.46 86 | 0 0 0 0 0 87 | ==================== 88 | Desorption data 89 | ==================== 90 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 91 | 1 93.971 99.432 25.117 308.40 92 | 2 90.920 99.440 25.094 307.51 93 | 3 86.151 99.416 25.062 306.95 94 | 4 83.539 99.420 25.041 306.72 95 | 5 81.073 99.440 25.015 306.32 96 | 6 78.636 99.428 24.999 305.91 97 | 7 76.198 99.432 24.977 305.61 98 | 8 73.753 99.400 24.960 305.27 99 | 9 71.287 99.387 24.940 305.05 100 | 10 68.853 99.404 24.918 304.71 101 | 11 66.416 99.416 24.901 304.41 102 | 12 63.995 99.424 24.879 304.15 103 | 13 61.569 99.424 24.858 303.67 104 | 14 59.132 99.428 24.839 303.34 105 | 15 56.694 99.440 24.821 302.98 106 | 16 54.269 99.432 24.802 302.60 107 | 17 51.832 99.396 24.786 302.26 108 | 18 49.386 99.416 24.765 301.74 109 | 19 46.977 99.383 24.751 301.26 110 | 20 44.527 99.363 24.727 300.89 111 | 21 42.106 99.379 24.710 300.37 112 | 22 39.677 99.343 24.692 300.00 113 | 23 37.235 99.168 24.680 299.35 114 | 24 34.794 99.119 24.658 298.69 115 | 25 32.365 99.127 24.639 298.03 116 | 26 29.960 99.148 24.618 297.35 117 | 27 27.555 99.115 24.598 296.65 118 | 28 25.170 99.127 24.580 295.83 119 | 29 22.761 99.058 24.559 294.91 120 | 30 20.384 99.046 24.541 293.95 121 | 31 18.008 99.103 24.523 292.80 122 | 32 15.660 99.066 24.504 291.53 123 | 33 13.344 99.099 24.487 289.98 124 | 34 10.273 99.013 24.461 287.51 125 | 35 7.8356 99.050 24.439 284.80 126 | 36 5.5931 99.038 24.418 280.98 127 | 37 1.2262 98.965 24.379 258.27 128 | 0 0 0 0 0 129 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT-67-N2_77K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Simon' 3 | _exptl_date 2016-03-05T00:00:00 4 | _exptl_instrument 'BEL 00218' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature 77.0 7 | _adsnt_sample_mass 0.0387 8 | _adsnt_sample_id 'DUT67Zr' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | -0.0033975 100.01 23.222 21 | -0.0033975 100.03 46.206 22 | -0.006795 99.969 69.232 23 | -4.0983e-19 99.847 92.491 24 | 0.01487 99.753 115.44 25 | 0.026983 99.717 137.92 26 | 0.043134 99.668 160.02 27 | 0.091586 99.607 181.38 28 | 0.17638 99.534 200.97 29 | 0.52362 99.522 233.65 30 | 1.2383 99.538 259.56 31 | 2.916 99.493 273.88 32 | 5.5484 99.448 281.75 33 | 7.9575 99.481 285.81 34 | 10.618 99.518 288.75 35 | 12.576 99.485 290.39 36 | 15.002 99.485 292.02 37 | 17.589 99.501 293.46 38 | 20.222 99.481 294.75 39 | 22.81 99.44 295.85 40 | 25.414 99.448 296.79 41 | 27.993 99.452 297.64 42 | 30.569 99.481 298.4 43 | 33.153 99.485 299.07 44 | 35.712 99.436 299.58 45 | 38.263 99.526 300.16 46 | 40.855 99.493 300.78 47 | 43.39 99.489 301.23 48 | 45.933 99.489 301.73 49 | 48.484 99.457 302.15 50 | 51.007 99.448 302.56 51 | 53.546 99.461 302.91 52 | 56.089 99.461 303.36 53 | 58.628 99.457 303.77 54 | 61.167 99.44 304.12 55 | 63.698 99.477 304.41 56 | 66.249 99.481 304.72 57 | 68.804 99.469 305.03 58 | 71.331 99.457 305.41 59 | 73.85 99.481 305.86 60 | 76.381 99.469 305.96 61 | 78.908 99.473 306.22 62 | 81.451 99.473 306.5 63 | 83.982 99.448 306.8 64 | 86.488 99.457 307.12 65 | 89.023 99.448 307.45 66 | 91.542 99.448 307.75 67 | 94.04 99.436 308.17 68 | 98.338 99.444 312.46 69 | 70 | loop_ 71 | _desorp_pressure 72 | _desorp_p0 73 | _desorp_amount 74 | 93.971 99.432 308.4 75 | 90.92 99.44 307.51 76 | 86.151 99.416 306.95 77 | 83.539 99.42 306.72 78 | 81.073 99.44 306.32 79 | 78.636 99.428 305.91 80 | 76.198 99.432 305.61 81 | 73.753 99.4 305.27 82 | 71.287 99.387 305.05 83 | 68.853 99.404 304.71 84 | 66.416 99.416 304.41 85 | 63.995 99.424 304.15 86 | 61.569 99.424 303.67 87 | 59.132 99.428 303.34 88 | 56.694 99.44 302.98 89 | 54.269 99.432 302.6 90 | 51.832 99.396 302.26 91 | 49.386 99.416 301.74 92 | 46.977 99.383 301.26 93 | 44.527 99.363 300.89 94 | 42.106 99.379 300.37 95 | 39.677 99.343 300.0 96 | 37.235 99.168 299.35 97 | 34.794 99.119 298.69 98 | 32.365 99.127 298.03 99 | 29.96 99.148 297.35 100 | 27.555 99.115 296.65 101 | 25.17 99.127 295.83 102 | 22.761 99.058 294.91 103 | 20.384 99.046 293.95 104 | 18.008 99.103 292.8 105 | 15.66 99.066 291.53 106 | 13.344 99.099 289.98 107 | 10.273 99.013 287.51 108 | 7.8356 99.05 284.8 109 | 5.5931 99.038 280.98 110 | 1.2262 98.965 258.27 111 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT-67_H2O_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Claudia Schenk' 3 | _exptl_date 2017-01-16T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'H2O' 6 | _exptl_temperature 298.15 7 | _adsnt_sample_mass 0.0374 8 | _adsnt_sample_id 'Probe Garching' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.024284 3.14 4.641 21 | 0.066971 3.14 8.9905 22 | 0.12486 3.14 17.571 23 | 0.1535 3.14 26.377 24 | 0.18146 3.14 39.911 25 | 0.19987 3.14 48.491 26 | 0.2458 3.14 61.591 27 | 0.29718 3.14 70.057 28 | 0.32771 3.14 74.385 29 | 0.39373 3.14 82.983 30 | 0.42907 3.14 87.259 31 | 0.46634 3.14 91.466 32 | 0.50533 3.14 95.697 33 | 0.54444 3.14 99.972 34 | 0.58522 3.14 104.27 35 | 0.67189 3.14 112.5 36 | 0.72192 3.14 116.79 37 | 0.775 3.14 120.98 38 | 0.82762 3.14 125.17 39 | 0.87283 3.14 129.42 40 | 0.89532 3.14 133.94 41 | 0.91944 3.14 147.8 42 | 0.93027 3.14 162.59 43 | 0.93721 3.14 177.29 44 | 0.94231 3.14 191.77 45 | 0.94633 3.14 206.14 46 | 0.95039 3.14 220.46 47 | 0.95435 3.14 234.84 48 | 0.95809 3.14 248.83 49 | 0.96244 3.14 262.81 50 | 0.96875 3.14 277.55 51 | 0.97747 3.14 292.04 52 | 1.0055 3.14 305.94 53 | 1.0769 3.14 314.95 54 | 1.1006 3.14 319.63 55 | 1.1313 3.14 334.32 56 | 1.1407 3.14 343.81 57 | 1.1489 3.14 353.86 58 | 1.1605 3.14 368.72 59 | 1.1716 3.14 383.33 60 | 1.1825 3.14 397.62 61 | 1.1906 3.14 407.68 62 | 1.203 3.14 422.63 63 | 1.2161 3.14 437.14 64 | 1.2306 3.14 451.25 65 | 1.2482 3.14 466.01 66 | 1.2691 3.14 480.27 67 | 1.2978 3.14 494.61 68 | 1.3112 3.14 499.22 69 | 1.3596 3.14 508.52 70 | 1.4449 3.14 517.31 71 | 1.4978 3.14 521.73 72 | 1.5523 3.14 526.08 73 | 1.6125 3.14 530.32 74 | 1.6649 3.14 534.77 75 | 1.7137 3.14 539.17 76 | 1.7674 3.14 543.43 77 | 1.8308 3.14 547.63 78 | 1.906 3.14 551.94 79 | 1.9853 3.14 555.9 80 | 2.0683 3.14 559.88 81 | 2.1667 3.14 563.82 82 | 2.2773 3.14 567.6 83 | 2.4053 3.14 571.36 84 | 2.5529 3.14 574.99 85 | 2.6965 3.14 578.57 86 | 2.8562 3.14 582.41 87 | 2.9896 3.14 586.81 88 | 89 | loop_ 90 | _desorp_pressure 91 | _desorp_p0 92 | _desorp_amount 93 | 2.8384 3.14 582.88 94 | 2.6749 3.14 579.25 95 | 2.5115 3.14 575.68 96 | 2.3484 3.14 572.03 97 | 2.1984 3.14 568.54 98 | 2.0552 3.14 564.88 99 | 1.9264 3.14 561.2 100 | 1.8019 3.14 557.47 101 | 1.6828 3.14 553.64 102 | 1.5738 3.14 549.64 103 | 1.4787 3.14 545.74 104 | 1.388 3.14 541.84 105 | 1.3027 3.14 533.69 106 | 1.2863 3.14 529.12 107 | 1.2596 3.14 514.85 108 | 1.2487 3.14 505.5 109 | 1.2328 3.14 490.91 110 | 1.2197 3.14 476.52 111 | 1.2071 3.14 462.48 112 | 1.1947 3.14 447.78 113 | 1.1836 3.14 433.32 114 | 1.1735 3.14 419.11 115 | 1.164 3.14 405.17 116 | 1.153 3.14 390.6 117 | 1.1423 3.14 376.33 118 | 1.131 3.14 362.35 119 | 1.119 3.14 348.74 120 | 1.1002 3.14 334.76 121 | 1.0669 3.14 321.5 122 | 1.0066 3.14 312.8 123 | 0.98185 3.14 308.35 124 | 0.95643 3.14 294.49 125 | 0.94741 3.14 280.77 126 | 0.94126 3.14 266.9 127 | 0.93618 3.14 253.08 128 | 0.93169 3.14 239.32 129 | 0.92696 3.14 225.71 130 | 0.92301 3.14 212.19 131 | 0.91838 3.14 198.78 132 | 0.91294 3.14 185.47 133 | 0.90607 3.14 172.31 134 | 0.90064 3.14 163.68 135 | 0.88683 3.14 151.06 136 | 0.84816 3.14 139.06 137 | 0.77315 3.14 131.88 138 | 0.68571 3.14 125.54 139 | 0.60892 3.14 119.92 140 | 0.57663 3.14 117.31 141 | 0.54742 3.14 114.84 142 | 0.49625 3.14 110.28 143 | 0.45384 3.14 106.1 144 | 0.41854 3.14 102.26 145 | 0.37375 3.14 97.018 146 | 0.32593 3.14 90.855 147 | 0.28615 3.14 85.492 148 | 0.24657 3.14 79.677 149 | 0.20409 3.14 70.885 150 | 0.17813 3.14 60.85 151 | 0.16176 3.14 51.882 152 | 0.14387 3.14 41.826 153 | 0.11733 3.14 31.655 154 | 0.072482 3.14 23.82 155 | 0.027866 3.14 18.712 156 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_DCM_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" DCM 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.03520 19 | "Comment1:" "DUT-67Zr_DCM" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.181Pa/Min, Vacuum degree before measurement:6.144E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/17 29 | "Time of measurement:" 8:44:15 30 | "Slope of dead volume:" 3.7961E-7 31 | "Intercept of dead volume:" 1.7920E+1 32 | "Average dead volume:" 1.7944E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 4.6314E-1 57.300 17.936 32.476 38 | 2 1.7632 57.300 17.936 73.092 39 | 3 2.7097 57.300 17.938 104.93 40 | 4 3.4411 57.300 17.938 113.98 41 | 5 4.9443 57.300 17.938 122.54 42 | 6 8.2063 57.300 17.939 129.81 43 | 7 12.863 57.300 17.939 135.40 44 | 8 18.203 57.300 17.939 139.48 45 | 9 23.680 57.300 17.940 142.28 46 | 10 30.040 57.300 17.940 144.71 47 | 11 36.849 57.300 17.941 146.99 48 | 12 44.146 57.300 17.941 149.41 49 | 13 52.363 57.300 17.941 153.29 50 | 0 0 0 0 0 51 | ==================== 52 | Desorption data 53 | ==================== 54 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 55 | 1 47.604 57.300 17.942 151.79 56 | 2 42.746 57.300 17.942 150.59 57 | 3 38.177 57.300 17.942 149.40 58 | 4 33.776 57.300 17.943 148.23 59 | 5 29.503 57.300 17.943 146.85 60 | 6 25.347 57.300 17.944 145.37 61 | 7 21.340 57.300 17.944 143.69 62 | 8 17.641 57.300 17.943 141.19 63 | 9 13.908 57.300 17.944 138.27 64 | 10 11.222 57.300 17.944 135.49 65 | 11 8.6767 57.300 17.945 132.21 66 | 12 6.2405 57.300 17.945 127.79 67 | 13 4.0819 57.300 17.945 120.16 68 | 14 2.9967 57.300 17.945 111.10 69 | 15 2.0242 57.300 17.946 86.947 70 | 16 1.0869 57.300 17.947 55.179 71 | 17 5.9764E-1 57.300 17.947 39.897 72 | 0 0 0 0 0 73 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_DCM_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-17T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'DCM' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0352 8 | _adsnt_sample_id 'DUT-67Zr_DCM' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.46314 57.3 32.476 21 | 1.7632 57.3 73.092 22 | 2.7097 57.3 104.93 23 | 3.4411 57.3 113.98 24 | 4.9443 57.3 122.54 25 | 8.2063 57.3 129.81 26 | 12.863 57.3 135.4 27 | 18.203 57.3 139.48 28 | 23.68 57.3 142.28 29 | 30.04 57.3 144.71 30 | 36.849 57.3 146.99 31 | 44.146 57.3 149.41 32 | 52.363 57.3 153.29 33 | 34 | loop_ 35 | _desorp_pressure 36 | _desorp_p0 37 | _desorp_amount 38 | 47.604 57.3 151.79 39 | 42.746 57.3 150.59 40 | 38.177 57.3 149.4 41 | 33.776 57.3 148.23 42 | 29.503 57.3 146.85 43 | 25.347 57.3 145.37 44 | 21.34 57.3 143.69 45 | 17.641 57.3 141.19 46 | 13.908 57.3 138.27 47 | 11.222 57.3 135.49 48 | 8.6767 57.3 132.21 49 | 6.2405 57.3 127.79 50 | 4.0819 57.3 120.16 51 | 2.9967 57.3 111.1 52 | 2.0242 57.3 86.947 53 | 1.0869 57.3 55.179 54 | 0.59764 57.3 39.897 55 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_EtOH_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" EtOH 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.08570 19 | "Comment1:" "DUT-67Zr_EtOH" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.180Pa/Min, Vacuum degree before measurement:8.370E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/18 29 | "Time of measurement:" 21:08:41 30 | "Slope of dead volume:" 1.5163E-7 31 | "Intercept of dead volume:" 1.7999E+1 32 | "Average dead volume:" 1.8009E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 1.6554E-2 7.8900 18.004 33.308 38 | 2 1.3067E-1 7.8900 18.005 66.040 39 | 3 3.2689E-1 7.8900 18.006 87.983 40 | 4 4.6654E-1 7.8900 18.007 110.57 41 | 5 6.6388E-1 7.8900 18.008 144.75 42 | 6 9.5883E-1 7.8900 18.009 155.71 43 | 7 1.7863 7.8900 18.010 165.59 44 | 8 3.1838 7.8900 18.011 173.50 45 | 9 5.3720 7.8900 18.012 179.28 46 | 10 6.9906 7.8900 18.013 182.74 47 | 11 7.6721 7.8900 18.013 187.04 48 | 0 0 0 0 0 49 | ==================== 50 | Desorption data 51 | ==================== 52 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 53 | 1 5.6712 7.8900 18.014 180.31 54 | 2 3.7131 7.8900 18.014 176.16 55 | 3 2.7508 7.8900 18.014 172.45 56 | 4 2.1779 7.8900 18.014 169.31 57 | 5 1.7924 7.8900 18.015 166.66 58 | 6 1.5103 7.8900 18.015 164.43 59 | 7 1.3184 7.8900 18.016 162.48 60 | 8 1.1758 7.8900 18.016 160.71 61 | 9 1.0644 7.8900 18.016 159.13 62 | 10 8.5677E-1 7.8900 18.017 155.02 63 | 11 6.7418E-1 7.8900 18.018 148.44 64 | 12 4.9079E-1 7.8900 18.020 125.90 65 | 13 4.8033E-1 7.8900 18.021 123.08 66 | 14 3.2065E-1 7.8900 18.026 92.680 67 | 15 2.8304E-1 7.8900 18.029 86.390 68 | 16 2.8065E-1 7.8900 18.029 86.002 69 | 17 9.1149E-2 7.8900 18.040 63.978 70 | 18 8.2325E-2 7.8900 18.041 62.696 71 | 0 0 0 0 0 72 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_EtOH_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-18T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'EtOH' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0857 8 | _adsnt_sample_id 'DUT-67Zr_EtOH' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.016554 7.89 33.308 21 | 0.13067 7.89 66.04 22 | 0.32689 7.89 87.983 23 | 0.46654 7.89 110.57 24 | 0.66388 7.89 144.75 25 | 0.95883 7.89 155.71 26 | 1.7863 7.89 165.59 27 | 3.1838 7.89 173.5 28 | 5.372 7.89 179.28 29 | 6.9906 7.89 182.74 30 | 7.6721 7.89 187.04 31 | 32 | loop_ 33 | _desorp_pressure 34 | _desorp_p0 35 | _desorp_amount 36 | 5.6712 7.89 180.31 37 | 3.7131 7.89 176.16 38 | 2.7508 7.89 172.45 39 | 2.1779 7.89 169.31 40 | 1.7924 7.89 166.66 41 | 1.5103 7.89 164.43 42 | 1.3184 7.89 162.48 43 | 1.1758 7.89 160.71 44 | 1.0644 7.89 159.13 45 | 0.85677 7.89 155.02 46 | 0.67418 7.89 148.44 47 | 0.49079 7.89 125.9 48 | 0.48033 7.89 123.08 49 | 0.32065 7.89 92.68 50 | 0.28304 7.89 86.39 51 | 0.28065 7.89 86.002 52 | 0.091149 7.89 63.978 53 | 0.082325 7.89 62.696 54 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_MeOH_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" MeOH 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.03520 19 | "Comment1:" "DUT-67Zr_Methanol" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.198Pa/Min, Vacuum degree before measurement:8.768E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/15 29 | "Time of measurement:" 12:27:04 30 | "Slope of dead volume:" 5.3868E-8 31 | "Intercept of dead volume:" 1.7943E+1 32 | "Average dead volume:" 1.7947E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 6.7414E-2 16.850 17.940 32.254 38 | 2 9.9600E-2 16.850 17.941 42.424 39 | 3 5.1171E-1 16.850 17.942 77.371 40 | 4 1.0088 16.850 17.943 99.337 41 | 5 1.4368 16.850 17.943 121.09 42 | 6 1.8226 16.850 17.944 143.59 43 | 7 2.0727 16.850 17.945 168.17 44 | 8 2.5342 16.850 17.945 206.19 45 | 9 2.9863 16.850 17.946 217.51 46 | 10 3.6604 16.850 17.946 226.90 47 | 11 4.8663 16.850 17.947 236.23 48 | 12 6.4223 16.850 17.947 244.34 49 | 13 8.2259 16.850 17.947 251.51 50 | 14 10.637 16.850 17.948 257.94 51 | 15 13.180 16.850 17.948 263.27 52 | 16 15.473 16.850 17.949 271.08 53 | 0 0 0 0 0 54 | ==================== 55 | Desorption data 56 | ==================== 57 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 58 | 1 13.081 16.850 17.949 263.72 59 | 2 10.811 16.850 17.949 259.37 60 | 3 8.6911 16.850 17.949 254.02 61 | 4 6.8867 16.850 17.950 247.76 62 | 5 5.4494 16.850 17.950 240.80 63 | 6 4.3061 16.850 17.951 233.74 64 | 7 3.3839 16.850 17.951 225.06 65 | 8 2.7964 16.850 17.952 215.30 66 | 9 2.4801 16.850 17.952 206.05 67 | 10 2.2016 16.850 17.954 188.41 68 | 11 1.9446 16.850 17.955 156.11 69 | 12 1.7718 16.850 17.955 141.96 70 | 13 1.3672 16.850 17.956 119.06 71 | 14 1.0258 16.850 17.956 102.15 72 | 15 5.9883E-1 16.850 17.957 83.275 73 | 16 1.9228E-1 16.850 17.959 57.090 74 | 17 1.7228E-1 16.850 17.960 54.706 75 | 0 0 0 0 0 76 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_MeOH_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-15T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'MeOH' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0352 8 | _adsnt_sample_id 'DUT-67Zr_Methanol' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.067414 16.85 32.254 21 | 0.0996 16.85 42.424 22 | 0.51171 16.85 77.371 23 | 1.0088 16.85 99.337 24 | 1.4368 16.85 121.09 25 | 1.8226 16.85 143.59 26 | 2.0727 16.85 168.17 27 | 2.5342 16.85 206.19 28 | 2.9863 16.85 217.51 29 | 3.6604 16.85 226.9 30 | 4.8663 16.85 236.23 31 | 6.4223 16.85 244.34 32 | 8.2259 16.85 251.51 33 | 10.637 16.85 257.94 34 | 13.18 16.85 263.27 35 | 15.473 16.85 271.08 36 | 37 | loop_ 38 | _desorp_pressure 39 | _desorp_p0 40 | _desorp_amount 41 | 13.081 16.85 263.72 42 | 10.811 16.85 259.37 43 | 8.6911 16.85 254.02 44 | 6.8867 16.85 247.76 45 | 5.4494 16.85 240.8 46 | 4.3061 16.85 233.74 47 | 3.3839 16.85 225.06 48 | 2.7964 16.85 215.3 49 | 2.4801 16.85 206.05 50 | 2.2016 16.85 188.41 51 | 1.9446 16.85 156.11 52 | 1.7718 16.85 141.96 53 | 1.3672 16.85 119.06 54 | 1.0258 16.85 102.15 55 | 0.59883 16.85 83.275 56 | 0.19228 16.85 57.09 57 | 0.17228 16.85 54.706 58 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_acetone_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" Acetone 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.08570 19 | "Comment1:" "DUT-67Zr_acetone" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.248Pa/Min, Vacuum degree before measurement:1.166E-4Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/19 29 | "Time of measurement:" 47:49:51 30 | "Slope of dead volume:" -3.9299E-8 31 | "Intercept of dead volume:" 1.8013E+1 32 | "Average dead volume:" 1.8011E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 5.7686E-3 30.500 18.008 10.265 38 | 2 4.1827E-2 30.500 18.010 23.485 39 | 3 2.1167E-1 30.500 18.011 38.256 40 | 4 4.8825E-1 30.500 18.012 51.086 41 | 5 6.4522E-1 30.500 18.013 62.372 42 | 6 7.3888E-1 30.500 18.014 73.226 43 | 7 8.3979E-1 30.500 18.015 83.417 44 | 8 1.1822 30.500 18.017 96.628 45 | 9 1.9022 30.500 18.018 105.35 46 | 10 2.5560 30.500 18.019 109.03 47 | 11 3.3866 30.500 18.019 111.98 48 | 12 4.2417 30.500 18.019 114.14 49 | 13 6.0656 30.500 18.021 117.75 50 | 14 8.1363 30.500 18.022 121.22 51 | 15 10.178 30.500 18.025 124.70 52 | 16 12.358 30.500 18.029 128.81 53 | 17 14.403 30.500 18.032 133.05 54 | 18 16.114 30.500 18.036 138.53 55 | 19 18.078 30.500 18.038 144.00 56 | 20 20.127 30.500 18.040 150.29 57 | 21 21.922 30.500 18.043 155.93 58 | 22 23.631 30.500 18.045 161.03 59 | 23 26.017 30.500 18.047 167.20 60 | 24 28.376 30.500 18.048 172.70 61 | 0 0 0 0 0 62 | ==================== 63 | Desorption data 64 | ==================== 65 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 66 | 1 25.298 30.500 18.048 168.65 67 | 2 22.532 30.500 18.049 165.06 68 | 3 20.263 30.500 18.051 161.13 69 | 4 18.341 30.500 18.052 157.61 70 | 5 16.514 30.500 18.055 154.40 71 | 6 14.780 30.500 18.056 151.40 72 | 7 13.065 30.500 18.059 148.53 73 | 8 11.385 30.500 18.061 145.69 74 | 9 9.9932 30.500 18.063 143.36 75 | 10 8.4527 30.500 18.065 140.68 76 | 11 7.1622 30.500 18.067 138.35 77 | 12 6.0766 30.500 18.070 135.95 78 | 13 4.6336 30.500 18.073 131.79 79 | 14 3.8359 30.500 18.075 129.32 80 | 15 2.8821 30.500 18.077 126.21 81 | 16 2.2279 30.500 18.078 123.35 82 | 17 1.8083 30.500 18.079 120.67 83 | 18 1.3537 30.500 18.080 116.25 84 | 19 9.3660E-1 30.500 18.080 107.78 85 | 20 8.9795E-1 30.500 18.081 106.32 86 | 21 7.2440E-1 30.500 18.081 95.620 87 | 22 6.2268E-1 30.500 18.082 84.709 88 | 23 5.0826E-1 30.500 18.084 73.958 89 | 24 3.2862E-1 30.500 18.086 63.507 90 | 25 3.1344E-1 30.500 18.086 62.639 91 | 0 0 0 0 0 92 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_acetone_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-19T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'Acetone' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0857 8 | _adsnt_sample_id 'DUT-67Zr_acetone' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0057686 30.5 10.265 21 | 0.041827 30.5 23.485 22 | 0.21167 30.5 38.256 23 | 0.48825 30.5 51.086 24 | 0.64522 30.5 62.372 25 | 0.73888 30.5 73.226 26 | 0.83979 30.5 83.417 27 | 1.1822 30.5 96.628 28 | 1.9022 30.5 105.35 29 | 2.556 30.5 109.03 30 | 3.3866 30.5 111.98 31 | 4.2417 30.5 114.14 32 | 6.0656 30.5 117.75 33 | 8.1363 30.5 121.22 34 | 10.178 30.5 124.7 35 | 12.358 30.5 128.81 36 | 14.403 30.5 133.05 37 | 16.114 30.5 138.53 38 | 18.078 30.5 144.0 39 | 20.127 30.5 150.29 40 | 21.922 30.5 155.93 41 | 23.631 30.5 161.03 42 | 26.017 30.5 167.2 43 | 28.376 30.5 172.7 44 | 45 | loop_ 46 | _desorp_pressure 47 | _desorp_p0 48 | _desorp_amount 49 | 25.298 30.5 168.65 50 | 22.532 30.5 165.06 51 | 20.263 30.5 161.13 52 | 18.341 30.5 157.61 53 | 16.514 30.5 154.4 54 | 14.78 30.5 151.4 55 | 13.065 30.5 148.53 56 | 11.385 30.5 145.69 57 | 9.9932 30.5 143.36 58 | 8.4527 30.5 140.68 59 | 7.1622 30.5 138.35 60 | 6.0766 30.5 135.95 61 | 4.6336 30.5 131.79 62 | 3.8359 30.5 129.32 63 | 2.8821 30.5 126.21 64 | 2.2279 30.5 123.35 65 | 1.8083 30.5 120.67 66 | 1.3537 30.5 116.25 67 | 0.9366 30.5 107.78 68 | 0.89795 30.5 106.32 69 | 0.7244 30.5 95.62 70 | 0.62268 30.5 84.709 71 | 0.50826 30.5 73.958 72 | 0.32862 30.5 63.507 73 | 0.31344 30.5 62.639 74 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_hexane_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" Hexane 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.03520 19 | "Comment1:" "DUT-67Zr_hexane" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.187Pa/Min, Vacuum degree before measurement:8.749E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/19 29 | "Time of measurement:" 6:08:26 30 | "Slope of dead volume:" -1.1122E-7 31 | "Intercept of dead volume:" 1.7953E+1 32 | "Average dead volume:" 1.7946E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 3.0979E-2 20.000 17.938 20.774 38 | 2 3.5770E-1 20.000 17.938 58.572 39 | 3 1.2512 20.000 17.938 63.999 40 | 4 2.7739 20.000 17.939 66.947 41 | 5 4.5422 20.000 17.939 68.443 42 | 6 7.1447 20.000 17.939 69.709 43 | 7 10.209 20.000 17.939 70.702 44 | 8 13.357 20.000 17.940 71.502 45 | 9 16.977 20.000 17.940 72.596 46 | 10 19.478 20.000 17.942 87.797 47 | 0 0 0 0 0 48 | ==================== 49 | Desorption data 50 | ==================== 51 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 52 | 1 17.747 20.000 17.942 72.942 53 | 2 14.416 20.000 17.942 71.558 54 | 3 11.488 20.000 17.942 70.708 55 | 4 8.6279 20.000 17.942 69.832 56 | 5 6.1112 20.000 17.942 68.882 57 | 6 3.9819 20.000 17.942 67.560 58 | 7 2.2336 20.000 17.942 65.701 59 | 8 1.2264 20.000 17.943 63.441 60 | 9 7.6302E-1 20.000 17.943 61.638 61 | 10 5.4017E-1 20.000 17.943 60.174 62 | 11 2.1631E-1 20.000 17.943 54.863 63 | 12 2.0099E-1 20.000 17.943 54.245 64 | 0 0 0 0 0 65 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_hexane_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-19T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'Hexane' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0352 8 | _adsnt_sample_id 'DUT-67Zr_hexane' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.030979 20.0 20.774 21 | 0.3577 20.0 58.572 22 | 1.2512 20.0 63.999 23 | 2.7739 20.0 66.947 24 | 4.5422 20.0 68.443 25 | 7.1447 20.0 69.709 26 | 10.209 20.0 70.702 27 | 13.357 20.0 71.502 28 | 16.977 20.0 72.596 29 | 19.478 20.0 87.797 30 | 31 | loop_ 32 | _desorp_pressure 33 | _desorp_p0 34 | _desorp_amount 35 | 17.747 20.0 72.942 36 | 14.416 20.0 71.558 37 | 11.488 20.0 70.708 38 | 8.6279 20.0 69.832 39 | 6.1112 20.0 68.882 40 | 3.9819 20.0 67.56 41 | 2.2336 20.0 65.701 42 | 1.2264 20.0 63.441 43 | 0.76302 20.0 61.638 44 | 0.54017 20.0 60.174 45 | 0.21631 20.0 54.863 46 | 0.20099 20.0 54.245 47 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_isopropanol_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" Isopropanol 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.03520 19 | "Comment1:" "DUT-67Zr_acetone" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.183Pa/Min, Vacuum degree before measurement:1.065E-4Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/22 29 | "Time of measurement:" 19:22:39 30 | "Slope of dead volume:" -1.9948E-9 31 | "Intercept of dead volume:" 1.7950E+1 32 | "Average dead volume:" 1.7950E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 3.7424E-3 6.0000 17.943 10.057 38 | 2 6.9999E-3 6.0000 17.945 23.276 39 | 3 1.1728E-2 6.0000 17.946 35.399 40 | 4 2.6675E-2 6.0000 17.947 47.336 41 | 5 9.1476E-2 6.0000 17.948 58.538 42 | 6 1.5089E-1 6.0000 17.949 65.202 43 | 7 1.8568E-1 6.0000 17.950 76.930 44 | 8 2.0340E-1 6.0000 17.951 88.306 45 | 9 2.2754E-1 6.0000 17.951 99.276 46 | 10 3.2908E-1 6.0000 17.952 111.48 47 | 11 4.0402E-1 6.0000 17.953 114.84 48 | 12 5.3141E-1 6.0000 17.953 118.25 49 | 13 7.2681E-1 6.0000 17.954 121.26 50 | 14 1.0160 6.0000 17.954 124.05 51 | 15 1.3822 6.0000 17.955 126.83 52 | 16 1.8225 6.0000 17.955 129.07 53 | 17 2.3588 6.0000 17.956 130.88 54 | 18 3.0008 6.0000 17.957 132.40 55 | 19 3.7404 6.0000 17.958 133.80 56 | 20 4.4755 6.0000 17.958 135.14 57 | 21 5.2037 6.0000 17.959 137.31 58 | 22 5.5460 6.0000 17.959 145.54 59 | 0 0 0 0 0 60 | ==================== 61 | Desorption data 62 | ==================== 63 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 64 | 1 5.3614 6.0000 17.959 139.01 65 | 2 4.6503 6.0000 17.959 135.81 66 | 3 3.7977 6.0000 17.960 134.21 67 | 4 3.0106 6.0000 17.960 132.86 68 | 5 2.3604 6.0000 17.960 131.48 69 | 6 1.8762 6.0000 17.960 129.71 70 | 7 1.4546 6.0000 17.961 127.79 71 | 8 1.1005 6.0000 17.961 125.29 72 | 9 8.1354E-1 6.0000 17.961 122.88 73 | 10 6.4506E-1 6.0000 17.961 120.88 74 | 11 5.3709E-1 6.0000 17.962 119.16 75 | 12 4.1668E-1 6.0000 17.963 116.29 76 | 13 2.9549E-1 6.0000 17.964 110.81 77 | 14 2.1703E-1 6.0000 17.964 100.36 78 | 15 1.9402E-1 6.0000 17.965 90.320 79 | 16 1.8285E-1 6.0000 17.967 82.828 80 | 17 1.6513E-1 6.0000 17.968 72.592 81 | 18 1.1489E-1 6.0000 17.969 62.495 82 | 19 6.3146E-2 6.0000 17.971 57.285 83 | 20 6.0712E-2 6.0000 17.972 56.943 84 | 0 0 0 0 0 85 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_isopropanol_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-22T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'Isopropanol' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0352 8 | _adsnt_sample_id 'DUT-67Zr_acetone' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0037424 6.0 10.057 21 | 0.0069999 6.0 23.276 22 | 0.011728 6.0 35.399 23 | 0.026675 6.0 47.336 24 | 0.091476 6.0 58.538 25 | 0.15089 6.0 65.202 26 | 0.18568 6.0 76.93 27 | 0.2034 6.0 88.306 28 | 0.22754 6.0 99.276 29 | 0.32908 6.0 111.48 30 | 0.40402 6.0 114.84 31 | 0.53141 6.0 118.25 32 | 0.72681 6.0 121.26 33 | 1.016 6.0 124.05 34 | 1.3822 6.0 126.83 35 | 1.8225 6.0 129.07 36 | 2.3588 6.0 130.88 37 | 3.0008 6.0 132.4 38 | 3.7404 6.0 133.8 39 | 4.4755 6.0 135.14 40 | 5.2037 6.0 137.31 41 | 5.546 6.0 145.54 42 | 43 | loop_ 44 | _desorp_pressure 45 | _desorp_p0 46 | _desorp_amount 47 | 5.3614 6.0 139.01 48 | 4.6503 6.0 135.81 49 | 3.7977 6.0 134.21 50 | 3.0106 6.0 132.86 51 | 2.3604 6.0 131.48 52 | 1.8762 6.0 129.71 53 | 1.4546 6.0 127.79 54 | 1.1005 6.0 125.29 55 | 0.81354 6.0 122.88 56 | 0.64506 6.0 120.88 57 | 0.53709 6.0 119.16 58 | 0.41668 6.0 116.29 59 | 0.29549 6.0 110.81 60 | 0.21703 6.0 100.36 61 | 0.19402 6.0 90.32 62 | 0.18285 6.0 82.828 63 | 0.16513 6.0 72.592 64 | 0.11489 6.0 62.495 65 | 0.063146 6.0 57.285 66 | 0.060712 6.0 56.943 67 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_toluol_298K.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.2t 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" Toluene 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.08570 19 | "Comment1:" "DUT-67Zr_toluol" 20 | "Comment2:" "Volodymyr" 21 | "Comment3:" "" 22 | "Comment4:" "Leak amount : 0.381Pa/Min, Vacuum degree before measurement:6.545E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 17/05/16 29 | "Time of measurement:" 17:40:31 30 | "Slope of dead volume:" -6.5047E-8 31 | "Intercept of dead volume:" 1.8014E+1 32 | "Average dead volume:" 1.8010E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 4.3789E-2 3.7700 18.006 32.921 38 | 2 7.7712E-2 3.7700 18.008 65.779 39 | 3 1.2430E-1 3.7700 18.010 76.696 40 | 4 3.8996E-1 3.7700 18.012 86.911 41 | 5 1.5119 3.7700 18.015 93.993 42 | 6 3.1195 3.7700 18.016 97.431 43 | 7 3.8192 3.7700 18.017 101.56 44 | 0 0 0 0 0 45 | ==================== 46 | Desorption data 47 | ==================== 48 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 49 | 1 2.8150 3.7700 18.017 97.416 50 | 2 1.7481 3.7700 18.018 95.584 51 | 3 1.1799 3.7700 18.019 94.264 52 | 4 8.6457E-1 3.7700 18.020 93.233 53 | 5 6.8076E-1 3.7700 18.021 92.395 54 | 6 5.7957E-1 3.7700 18.021 91.662 55 | 7 5.1286E-1 3.7700 18.022 91.005 56 | 8 4.0266E-1 3.7700 18.023 89.938 57 | 9 3.0668E-1 3.7700 18.024 88.683 58 | 10 2.2481E-1 3.7700 18.025 87.124 59 | 11 1.3455E-1 3.7700 18.027 84.494 60 | 12 4.2601E-2 3.7700 18.038 76.625 61 | 0 0 0 0 0 62 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_toluol_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-16T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'Toluene' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0857 8 | _adsnt_sample_id 'DUT-67Zr_toluol' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.043789 3.77 32.921 21 | 0.077712 3.77 65.779 22 | 0.1243 3.77 76.696 23 | 0.38996 3.77 86.911 24 | 1.5119 3.77 93.993 25 | 3.1195 3.77 97.431 26 | 3.8192 3.77 101.56 27 | 28 | loop_ 29 | _desorp_pressure 30 | _desorp_p0 31 | _desorp_amount 32 | 2.815 3.77 97.416 33 | 1.7481 3.77 95.584 34 | 1.1799 3.77 94.264 35 | 0.86457 3.77 93.233 36 | 0.68076 3.77 92.395 37 | 0.57957 3.77 91.662 38 | 0.51286 3.77 91.005 39 | 0.40266 3.77 89.938 40 | 0.30668 3.77 88.683 41 | 0.22481 3.77 87.124 42 | 0.13455 3.77 84.494 43 | 0.042601 3.77 76.625 44 | -------------------------------------------------------------------------------- /test/database/DUT-67/DUT67_1_Garching_wasser_298K.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Volodymyr' 3 | _exptl_date 2017-05-23T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'H2O' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0857 8 | _adsnt_sample_id 'DUT-67Zr_wasser' 9 | _adsnt_material_id 'DUT-67' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0067106 3.14 3.6371 21 | 0.061107 3.14 14.808 22 | 0.12128 3.14 25.935 23 | 0.15938 3.14 37.218 24 | 0.19269 3.14 48.253 25 | 0.23896 3.14 59.527 26 | 0.30744 3.14 70.82 27 | 0.38689 3.14 82.005 28 | 0.44231 3.14 89.498 29 | 0.50088 3.14 97.029 30 | 0.56385 3.14 104.63 31 | 0.59709 3.14 108.48 32 | 0.67216 3.14 116.19 33 | 0.71223 3.14 120.09 34 | 0.80167 3.14 127.85 35 | 0.84719 3.14 131.79 36 | 0.8903 3.14 135.79 37 | 0.94779 3.14 147.98 38 | 0.96777 3.14 160.58 39 | 0.9794 3.14 173.08 40 | 0.98814 3.14 185.4 41 | 0.99668 3.14 198.23 42 | 1.0044 3.14 211.11 43 | 1.012 3.14 223.81 44 | 1.02 3.14 236.39 45 | 1.0296 3.14 248.95 46 | 1.0417 3.14 261.32 47 | 1.0568 3.14 273.56 48 | 1.0849 3.14 286.2 49 | 1.1311 3.14 294.36 50 | 1.2058 3.14 302.59 51 | 1.2377 3.14 311.01 52 | 1.2625 3.14 324.21 53 | 1.2695 3.14 336.98 54 | 1.2943 3.14 349.61 55 | 1.3155 3.14 362.63 56 | 1.3395 3.14 376.07 57 | 1.3594 3.14 389.29 58 | 1.383 3.14 402.35 59 | 1.407 3.14 415.14 60 | 1.4318 3.14 428.22 61 | 1.4619 3.14 440.73 62 | 1.4952 3.14 453.83 63 | 1.5261 3.14 462.38 64 | 1.5968 3.14 475.35 65 | 1.6424 3.14 479.65 66 | 1.7148 3.14 483.92 67 | 1.7916 3.14 488.24 68 | 1.8562 3.14 492.44 69 | 1.9262 3.14 496.59 70 | 2.0107 3.14 500.56 71 | 2.1059 3.14 504.33 72 | 2.2051 3.14 507.91 73 | 2.31 3.14 511.3 74 | 2.4222 3.14 514.52 75 | 2.5336 3.14 517.51 76 | 2.6552 3.14 520.23 77 | 2.7759 3.14 522.75 78 | 2.8938 3.14 525.06 79 | 80 | loop_ 81 | _desorp_pressure 82 | _desorp_p0 83 | _desorp_amount 84 | 2.5792 3.14 521.21 85 | 2.336 3.14 517.29 86 | 2.1425 3.14 513.57 87 | 1.9835 3.14 510.1 88 | 1.8542 3.14 506.86 89 | 1.7461 3.14 503.81 90 | 1.6546 3.14 500.93 91 | 1.5444 3.14 495.33 92 | 1.4655 3.14 484.42 93 | 1.4249 3.14 473.95 94 | 1.3948 3.14 463.82 95 | 1.3663 3.14 453.76 96 | 1.3379 3.14 441.67 97 | 1.3126 3.14 429.82 98 | 1.3084 3.14 418.19 99 | 1.2963 3.14 408.96 100 | 1.2793 3.14 397.52 101 | 1.2642 3.14 386.37 102 | 1.2496 3.14 375.24 103 | 1.2357 3.14 364.38 104 | 1.2322 3.14 359.98 105 | 1.2168 3.14 349.31 106 | 1.203 3.14 338.79 107 | 1.1883 3.14 328.42 108 | 1.1679 3.14 318.21 109 | 1.0988 3.14 306.59 110 | 1.0403 3.14 297.54 111 | 1.0132 3.14 287.03 112 | 0.99901 3.14 276.67 113 | 0.98897 3.14 266.44 114 | 0.98188 3.14 256.3 115 | 0.98117 3.14 254.61 116 | 0.97228 3.14 242.9 117 | 0.96529 3.14 231.27 118 | 0.95898 3.14 219.74 119 | 0.95296 3.14 208.31 120 | 0.94719 3.14 196.92 121 | 0.94054 3.14 185.6 122 | 0.93258 3.14 174.43 123 | 0.92136 3.14 163.45 124 | 0.91553 3.14 158.78 125 | 0.876 3.14 148.29 126 | 0.85151 3.14 145.42 127 | 0.78751 3.14 140.06 128 | 0.72338 3.14 135.1 129 | 0.65519 3.14 129.53 130 | 0.59774 3.14 124.5 131 | 0.53436 3.14 118.19 132 | 0.47634 3.14 111.75 133 | 0.47082 3.14 111.0 134 | 0.41047 3.14 103.35 135 | 0.3492 3.14 95.037 136 | 0.28492 3.14 85.689 137 | 0.22538 3.14 75.616 138 | 0.22118 3.14 74.591 139 | 0.18251 3.14 64.313 140 | 0.15921 3.14 55.548 141 | 0.13231 3.14 45.537 142 | 0.09685 3.14 36.565 143 | 0.094334 3.14 36.019 144 | 0.034193 3.14 26.719 145 | 0.031327 3.14 26.226 146 | -------------------------------------------------------------------------------- /test/database/DUT-75/US_540_DUT75_N2 (Isotherm).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-75/US_540_DUT75_N2 (Isotherm).txt -------------------------------------------------------------------------------- /test/database/DUT-75/US_540_DUT75_N2 (Raw Analysis Data).aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Uli' 3 | _exptl_date 2012-11-30T18:59:00 4 | _exptl_instrument 'Autosorb Station 1' 5 | _exptl_adsorptive 'Nitrogen' 6 | _exptl_temperature 77.3 7 | _adsnt_sample_mass 0.0539 8 | _adsnt_sample_id 'US_540_DUT75_N2' 9 | _adsnt_material_id 'DUT-75' 10 | _units_temperature 'K' 11 | _units_pressure 'Torr' 12 | _units_mass 'g' 13 | _units_loading 'cc' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.375289 754.27 247.3525046382189 21 | 0.56417 754.27 277.4211502782931 22 | 0.753489 754.27 309.97588126159553 23 | 1.50871 754.27 397.64007421150274 24 | 2.28019 754.27 443.4619666048237 25 | 3.02256 754.27 476.03525046382185 26 | 3.77764 754.27 501.76623376623377 27 | 4.53021 754.27 519.7328385899814 28 | 5.31581 754.27 543.9684601113172 29 | 6.08451 754.27 558.9944341372913 30 | 6.81558 754.27 581.2949907235621 31 | 7.58728 754.27 595.1614100185528 32 | 7.74643 754.27 598.3729128014842 33 | 10.3938 754.27 642.560296846011 34 | 12.3077 754.27 671.886827458256 35 | 16.2692 754.27 711.9480519480519 36 | 19.176 754.27 734.8014842300556 37 | 22.8474 754.27 759.4749536178107 38 | 25.0102 754.27 772.4508348794063 39 | 27.4237 754.27 785.8144712430427 40 | 30.0496 754.27 799.3339517625232 41 | 32.8293 754.27 812.8701298701297 42 | 35.7925 754.27 826.200371057514 43 | 38.874 754.27 839.1948051948051 44 | 42.0615 754.27 851.7328385899814 45 | 45.3251 754.27 863.7402597402596 46 | 48.5875 754.27 875.2801484230055 47 | 50.5774 754.27 887.4192949907234 48 | 53.7093 754.27 899.4508348794063 49 | 56.7908 754.27 911.2319109461966 50 | 59.5938 754.27 923.0612244897959 51 | 62.0818 754.27 935.2875695732838 52 | 64.2668 754.27 948.2745825602968 53 | 67.4915 754.27 972.1576994434135 54 | 70.1362 754.27 995.8552875695732 55 | 72.7492 754.27 1019.2708719851576 56 | 76.3336 754.27 1043.8200371057512 57 | 78.9321 754.27 1055.599257884972 58 | 83.0338 754.27 1066.964749536178 59 | 88.1319 754.27 1074.964749536178 60 | 93.4789 754.27 1080.294990723562 61 | 98.0762 754.27 1083.8163265306123 62 | 101.866 754.27 1086.2875695732837 63 | 105.206 754.27 1088.2430426716141 64 | 108.311 754.27 1089.8719851576993 65 | 111.274 754.27 1091.385899814471 66 | 114.224 754.27 1092.7884972170687 67 | 117.099 754.27 1094.1224489795918 68 | 119.998 754.27 1095.3803339517624 69 | 122.939 754.27 1096.5769944341373 70 | 125.775 754.27 1097.725417439703 71 | 128.648 754.27 1098.803339517625 72 | 131.505 754.27 1099.8534322820037 73 | 134.369 754.27 1100.8571428571427 74 | 137.249 754.27 1101.860853432282 75 | 140.106 754.27 1102.803339517625 76 | 142.969 754.27 1103.708719851577 77 | 143.922 754.27 1106.2597402597403 78 | 148.001 754.27 1107.82560296846 79 | 151.255 754.27 1108.9332096474955 80 | 154.26 754.27 1109.857142857143 81 | 157.187 754.27 1110.7105751391466 82 | 159.297 754.27 1111.3191094619665 83 | 161.973 754.27 1112.0519480519479 84 | 164.814 754.27 1112.808905380334 85 | 167.644 754.27 1113.5565862708718 86 | 170.473 754.27 1114.2708719851576 87 | 173.327 754.27 1114.9758812615955 88 | 177.702 754.27 1116.007421150278 89 | 194.013 754.27 1119.6363636363635 90 | 212.559 754.27 1123.4397031539888 91 | 231.683 754.27 1126.964749536178 92 | 250.82 754.27 1130.1855287569572 93 | 269.956 754.27 1133.1001855287568 94 | 288.965 754.27 1135.8293135435993 95 | 307.998 754.27 1138.3153988868276 96 | 327.01 754.27 1140.6771799628941 97 | 345.965 754.27 1142.8293135435993 98 | 364.936 754.27 1144.8923933209646 99 | 383.85 754.27 1146.857142857143 100 | 402.822 754.27 1148.708719851577 101 | 421.643 754.27 1150.4415584415583 102 | 440.623 754.27 1152.1243042671613 103 | 459.482 754.27 1153.7532467532467 104 | 478.41 754.27 1155.278293135436 105 | 497.218 754.27 1156.7458256029684 106 | 516.06 754.27 1158.1595547309832 107 | 535.051 754.27 1159.5602968460112 108 | 553.922 754.27 1160.8775510204082 109 | 572.74 754.27 1162.1447124304266 110 | 591.677 754.27 1163.3970315398885 111 | 610.534 754.27 1164.6141001855287 112 | 629.382 754.27 1165.7959183673468 113 | 648.113 754.27 1166.9350649350647 114 | 667.087 754.27 1168.0946196660482 115 | 685.899 754.27 1169.1892393320963 116 | 704.922 754.27 1170.1076066790351 117 | 723.763 754.27 1171.1465677179963 118 | 742.346 754.27 1172.4267161410019 119 | 753.108 754.27 1179.0 120 | 121 | loop_ 122 | _desorp_pressure 123 | _desorp_p0 124 | _desorp_amount 125 | 735.781 754.27 1171.9814471243042 126 | 713.836 754.27 1170.5936920222634 127 | 672.125 754.27 1168.3803339517626 128 | 633.947 754.27 1166.0667903525045 129 | 596.12 754.27 1163.6716141001855 130 | 558.431 754.27 1161.1743970315397 131 | 520.823 754.27 1158.495361781076 132 | 481.743 754.27 1155.5361781076067 133 | 444.966 754.27 1152.8645640074212 134 | 407.777 754.27 1149.3858998144713 135 | 370.291 754.27 1145.5064935064934 136 | 332.852 754.27 1141.3358070500926 137 | 295.396 754.27 1136.6549165120593 138 | 258.004 754.27 1131.269016697588 139 | 220.821 754.27 1124.942486085343 140 | 183.943 754.27 1117.378478664193 141 | 147.638 754.27 1107.6437847866418 142 | 140.314 754.27 1104.3617810760668 143 | 135.815 754.27 1102.6716141001855 144 | 130.419 754.27 1100.6641929499071 145 | 124.932 754.27 1098.499072356215 146 | 119.475 754.27 1096.103896103896 147 | 113.995 754.27 1093.5102040816325 148 | 108.55 754.27 1090.6808905380333 149 | 103.198 754.27 1087.5602968460112 150 | 97.9125 754.27 1084.025974025974 151 | 92.8891 754.27 1079.8719851576993 152 | 88.1651 754.27 1074.8627087198515 153 | 83.8635 754.27 1068.161410018553 154 | 80.1714 754.27 1059.4304267161408 155 | 77.1746 754.27 1047.821892393321 156 | 71.5845 754.27 1010.0296846011132 157 | -------------------------------------------------------------------------------- /test/database/DUT-75/US_540_DUT75_N2 (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/DUT-75/US_540_DUT75_N2 (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/DUT-8/foo.bar.html: -------------------------------------------------------------------------------- 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | foo.bar 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 |
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87 | 88 | 89 | 90 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | -------------------------------------------------------------------------------- /test/database/DUT-8/la-133_dut-8_zn_isp_cp_etoh_298k.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | System property BELSORP-max Ver1.3.12 3 | ==================== 4 | "Instrument S/N:" 00348 5 | "Vs/ml:" 24.438 6 | ======================= 7 | Measurement condition 8 | ======================= 9 | "Adsorptive:" C2H5OH 10 | "Meas. Temp./K:" 298.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.02460 19 | "Comment1:" "LA-133_DUT-8(Zn)_isp_cp_EtOH_298K" 20 | "Comment2:" "Leila" 21 | "Comment3:" "" 22 | "Comment4:" ", Vacuum degree before measurement:8.519E-5Pa" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 20/10/19 29 | "Time of measurement:" 44:54:14 30 | "Slope of dead volume:" 4.1178E-7 31 | "Intercept of dead volume:" 1.8120E+1 32 | "Average dead volume:" 1.8147E+1 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 1.9945E-3 7.7000 18.143 -7.8034E-3 38 | 2 2.3801E-1 7.7000 18.144 1.1631 39 | 3 5.9687E-1 7.7000 18.144 1.8710 40 | 4 1.0656 7.7000 18.143 2.5434 41 | 5 1.9405 7.7000 18.141 3.5961 42 | 6 2.9711 7.7000 18.139 4.7000 43 | 7 4.2908 7.7000 18.136 6.3256 44 | 8 5.7032 7.7000 18.132 9.4354 45 | 9 6.0951 7.7000 18.132 39.440 46 | 10 6.1793 7.7000 18.133 69.495 47 | 11 6.2789 7.7000 18.134 98.080 48 | 12 6.3927 7.7000 18.135 125.39 49 | 13 6.5110 7.7000 18.135 151.08 50 | 14 6.6346 7.7000 18.136 175.23 51 | 15 6.8001 7.7000 18.136 203.45 52 | 16 6.9745 7.7000 18.137 229.77 53 | 17 7.1290 7.7000 18.138 253.96 54 | 18 7.2550 7.7000 18.138 276.27 55 | 19 7.4351 7.7000 18.139 296.53 56 | 0 0 0 0 0 57 | ==================== 58 | Desorption data 59 | ==================== 60 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 61 | 1 6.9111 7.7000 18.141 293.60 62 | 2 5.8796 7.7000 18.145 286.96 63 | 3 4.9299 7.7000 18.149 279.73 64 | 4 4.1721 7.7000 18.152 271.25 65 | 5 3.4163 7.7000 18.155 262.46 66 | 6 2.8374 7.7000 18.158 255.44 67 | 7 2.3344 7.7000 18.160 247.89 68 | 8 1.9328 7.7000 18.162 240.05 69 | 9 1.6100 7.7000 18.164 233.55 70 | 10 1.3136 7.7000 18.166 227.95 71 | 11 1.0705 7.7000 18.168 218.16 72 | 12 9.8202E-1 7.7000 18.169 213.90 73 | 13 8.7430E-1 7.7000 18.171 206.13 74 | 14 7.4340E-1 7.7000 18.173 195.96 75 | 15 7.1286E-1 7.7000 18.175 184.21 76 | 16 6.4378E-1 7.7000 18.177 172.98 77 | 17 5.8136E-1 7.7000 18.182 162.96 78 | 18 5.5368E-1 7.7000 18.185 151.59 79 | 19 5.2315E-1 7.7000 18.189 140.46 80 | 20 4.8497E-1 7.7000 18.193 130.40 81 | 21 4.3684E-1 7.7000 18.197 118.87 82 | 22 3.9802E-1 7.7000 18.200 111.96 83 | 23 3.6784E-1 7.7000 18.201 108.85 84 | 24 3.3544E-1 7.7000 18.201 106.01 85 | 25 2.9902E-1 7.7000 18.203 96.902 86 | 26 2.7728E-1 7.7000 18.203 85.950 87 | 27 2.6424E-1 7.7000 18.203 81.422 88 | 28 2.3607E-1 7.7000 18.203 74.200 89 | 29 2.1067E-1 7.7000 18.203 68.737 90 | 30 1.8600E-1 7.7000 18.204 63.949 91 | 31 1.6694E-1 7.7000 18.204 60.421 92 | 32 1.4644E-1 7.7000 18.205 56.705 93 | 33 1.3148E-1 7.7000 18.205 53.981 94 | 34 1.1844E-1 7.7000 18.206 51.563 95 | 35 1.0471E-1 7.7000 18.207 49.002 96 | 0 0 0 0 0 97 | -------------------------------------------------------------------------------- /test/database/DUT-8/la-133_dut-8_zn_isp_cp_etoh_298k.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Leila' 3 | _exptl_date 2020-10-19T00:00:00 4 | _exptl_instrument 'BEL 00348' 5 | _exptl_adsorptive 'C2H5OH' 6 | _exptl_temperature 298.0 7 | _adsnt_sample_mass 0.0246 8 | _adsnt_sample_id 'LA-133_DUT-8(Zn)_isp_cp_EtOH_298K' 9 | _adsnt_material_id 'DUT-8' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0019945 7.7 -0.0078034 21 | 0.23801 7.7 1.1631 22 | 0.59687 7.7 1.871 23 | 1.0656 7.7 2.5434 24 | 1.9405 7.7 3.5961 25 | 2.9711 7.7 4.7 26 | 4.2908 7.7 6.3256 27 | 5.7032 7.7 9.4354 28 | 6.0951 7.7 39.44 29 | 6.1793 7.7 69.495 30 | 6.2789 7.7 98.08 31 | 6.3927 7.7 125.39 32 | 6.511 7.7 151.08 33 | 6.6346 7.7 175.23 34 | 6.8001 7.7 203.45 35 | 6.9745 7.7 229.77 36 | 7.129 7.7 253.96 37 | 7.255 7.7 276.27 38 | 7.4351 7.7 296.53 39 | 40 | loop_ 41 | _desorp_pressure 42 | _desorp_p0 43 | _desorp_amount 44 | 6.9111 7.7 293.6 45 | 5.8796 7.7 286.96 46 | 4.9299 7.7 279.73 47 | 4.1721 7.7 271.25 48 | 3.4163 7.7 262.46 49 | 2.8374 7.7 255.44 50 | 2.3344 7.7 247.89 51 | 1.9328 7.7 240.05 52 | 1.61 7.7 233.55 53 | 1.3136 7.7 227.95 54 | 1.0705 7.7 218.16 55 | 0.98202 7.7 213.9 56 | 0.8743 7.7 206.13 57 | 0.7434 7.7 195.96 58 | 0.71286 7.7 184.21 59 | 0.64378 7.7 172.98 60 | 0.58136 7.7 162.96 61 | 0.55368 7.7 151.59 62 | 0.52315 7.7 140.46 63 | 0.48497 7.7 130.4 64 | 0.43684 7.7 118.87 65 | 0.39802 7.7 111.96 66 | 0.36784 7.7 108.85 67 | 0.33544 7.7 106.01 68 | 0.29902 7.7 96.902 69 | 0.27728 7.7 85.95 70 | 0.26424 7.7 81.422 71 | 0.23607 7.7 74.2 72 | 0.21067 7.7 68.737 73 | 0.186 7.7 63.949 74 | 0.16694 7.7 60.421 75 | 0.14644 7.7 56.705 76 | 0.13148 7.7 53.981 77 | 0.11844 7.7 51.563 78 | 0.10471 7.7 49.002 79 | -------------------------------------------------------------------------------- /test/database/NIST/10.1021Jp400480q.Isotherm2.aif_tst: -------------------------------------------------------------------------------- 1 | data_10.1021Jp400480q.Isotherm2 2 | _citation_doi 10.1021/Jp400480q 3 | _citation_source UNKNOWN 4 | _exptl_digitizer UNKNOWN 5 | _adsnt_material_id MWCNT 6 | _adsnt_sample_id NIST-MATDB-47dadc99a0da13b9e9bb3032468ecbdf 7 | _exptl_adsorptive Argon 8 | _exptl_temperature 87 9 | _units_loading kmol/m3 10 | _units_pressure bar 11 | _units_composition molefraction 12 | 13 | loop_ 14 | _adsorp_pressure 15 | _adsorp_amount 16 | 0.00374842 12.7703 17 | 0.0173326 15.3716 18 | 0.0332298 17.6577 19 | 0.042291 19.3131 20 | 0.0628041 21.1261 21 | 0.0810402 22.7027 22 | 0.0901066 24.2793 23 | 0.103815 24.9887 24 | 0.131262 25.9347 25 | 0.151837 26.8018 26 | 0.186192 27.2748 27 | 0.232015 27.6689 28 | 0.270965 27.9842 29 | 0.316798 28.2207 30 | 0.383263 28.4572 31 | 0.477242 28.6149 32 | 0.743142 28.9302 33 | 0.912776 29.009 34 | 0.988426 29.009 35 | -------------------------------------------------------------------------------- /test/database/NovaWin/RE-22 (Raw Analysis Data).aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'TU DD' 3 | _exptl_date 2020-07-01T00:00:00 4 | _exptl_instrument 'Nova Station C' 5 | _exptl_adsorptive 'Nitrogen' 6 | _exptl_temperature 273.0 7 | _adsnt_sample_mass 0.032 8 | _adsnt_sample_id 'RE-22' 9 | _adsnt_material_id 'RE-22' 10 | _units_temperature 'K' 11 | _units_pressure 'Torr' 12 | _units_mass 'g' 13 | _units_loading 'cc' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 4.91264 760.0 27.9375 21 | 30.354400000000002 760.0 31.975 22 | 55.72548 760.0 33.171875 23 | 81.282 760.0 34.059375 24 | 108.16928000000001 760.0 34.934374999999996 25 | 131.70952 760.0 36.646875 26 | 153.48884 760.0 123.346875 27 | 176.23032 760.0 235.9375 28 | 203.4596 760.0 327.90000000000003 29 | 226.51647999999997 760.0 398.034375 30 | 252.28959999999998 760.0 448.746875 31 | 277.85143999999997 760.0 487.85625 32 | 300.36416 760.0 516.634375 33 | 324.98588 760.0 536.371875 34 | 349.52552 760.0 552.025 35 | 375.27204 760.0 567.8562499999999 36 | 401.05124 760.0 583.0656250000001 37 | 423.44996 760.0 595.540625 38 | 448.27232000000004 760.0 606.1625 39 | 472.29592 760.0 616.21875 40 | 496.72232 760.0 623.271875 41 | 522.66416 760.0 630.00625 42 | 545.9102800000001 760.0 635.8812499999999 43 | 571.32012 760.0 641.5375 44 | 596.2458399999999 760.0 646.225 45 | 619.77468 760.0 650.55625 46 | 644.6137600000001 760.0 654.2281250000001 47 | 669.0614400000001 760.0 657.6468749999999 48 | 695.9814 760.0 661.978125 49 | 720.24972 760.0 666.18125 50 | 51 | loop_ 52 | _desorp_pressure 53 | _desorp_p0 54 | _desorp_amount 55 | 687.06432 760.0 664.728125 56 | 650.46044 760.0 662.9375 57 | 614.7374 760.0 661.690625 58 | 580.18856 760.0 660.1875 59 | 543.52464 760.0 658.575 60 | 509.41584 760.0 657.0687499999999 61 | 463.92755999999997 760.0 654.7968749999999 62 | 437.0076 760.0 653.4499999999999 63 | 400.22512 760.0 651.48125 64 | 364.79012 760.0 649.253125 65 | 328.26223999999996 760.0 646.5656250000001 66 | 291.71308 760.0 643.78125 67 | 248.36116 760.0 640.103125 68 | 218.80552 760.0 637.1156249999999 69 | 185.37008 760.0 633.2375 70 | 141.51732 760.0 626.6125 71 | 113.53259999999999 760.0 620.959375 72 | 70.72332 760.0 608.253125 73 | 38.565439999999995 760.0 590.5875 74 | -------------------------------------------------------------------------------- /test/database/NovaWin/RE-22 (Raw Analysis Data).txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/NovaWin/RE-22 (Raw Analysis Data).txt -------------------------------------------------------------------------------- /test/database/bel/Sample_C.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/bel/Sample_C.xls -------------------------------------------------------------------------------- /test/database/bel/Sample_D.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/bel/Sample_D.xls -------------------------------------------------------------------------------- /test/database/bel/Sample_E.DAT: -------------------------------------------------------------------------------- 1 | ==================== 2 | Instrument ID 3 | ==================== 4 | "Instrument S/N:" 00345 5 | "Vs/ml:" 9.057 6 | ==================== 7 | Measurement condition 8 | ==================== 9 | "Adsorptive:" C3H8 10 | "Meas. Temp./K:" 303.00 11 | "Molecular cross-sectional area:" 0 12 | "Molecular weight of adsorbate:" 0.00 13 | "Equilibrium time/sec:" 0 14 | "Measurement mode:" 1 15 | ==================== 16 | Sample information 17 | ==================== 18 | "Sample weight/g:" 0.0740 19 | "Comment1:" "Sample_E" 20 | "Comment2:" "User" 21 | "Comment3:" "Comment number 1" 22 | "Comment4:" "Leak amount 1.177Pa/min" 23 | "as/m2 g-1:" 0.0000 24 | "Molecular weight of adsorbent:" 0.00 25 | ==================== 26 | Time and dead volume 27 | ==================== 28 | "Date of measurement:" 18/06/11 29 | "Time of measurement:" 19:42:27 30 | "Slope of dead volume:" 6.6298E-8 31 | "Intercept of dead volume:" 1.1242E+1 32 | "Initial dead volume/ml:" 11.242 33 | ==================== 34 | Adsorption data 35 | ==================== 36 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 37 | 1 2.1973E-1 1079.0 11.242 7.4821 38 | 2 1.1963 1079.0 11.242 15.194 39 | 3 2.2014 1079.0 11.242 21.402 40 | 4 3.3895 1079.0 11.243 27.150 41 | 5 4.7119 1079.0 11.243 31.806 42 | 6 6.6203 1079.0 11.243 36.369 43 | 7 8.8380 1079.0 11.243 40.230 44 | 8 11.263 1079.0 11.243 43.389 45 | 9 13.961 1079.0 11.243 46.390 46 | 10 16.113 1079.0 11.243 48.444 47 | 11 19.771 1079.0 11.244 51.312 48 | 12 22.429 1079.0 11.244 53.170 49 | 13 26.034 1079.0 11.244 55.357 50 | 14 30.843 1079.0 11.244 57.831 51 | 15 44.332 1079.0 11.245 62.823 52 | 16 51.111 1079.0 11.246 64.822 53 | 17 60.714 1079.0 11.246 66.918 54 | 18 71.021 1079.0 11.247 68.712 55 | 19 81.023 1079.0 11.248 70.084 56 | 20 91.016 1079.0 11.248 71.236 57 | 21 100.97 1079.0 11.249 72.251 58 | 0 0 0 0 0 59 | ==================== 60 | Desorption data 61 | ==================== 62 | "No." "Pe/kPa" "P0/kPa" "Vd/ml" "V/ml(STP) g-1" 63 | 0 0 0 0 0 64 | -------------------------------------------------------------------------------- /test/database/bel/Sample_E.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'User' 3 | _exptl_date 2018-06-11T00:00:00 4 | _exptl_instrument 'BEL 00345' 5 | _exptl_adsorptive 'C3H8' 6 | _exptl_temperature 303.0 7 | _adsnt_sample_mass 0.074 8 | _adsnt_sample_id 'Sample_E' 9 | _adsnt_material_id 'Sample_E' 10 | _units_temperature 'K' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'ml(STP) g-1' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.21973 1079.0 7.4821 21 | 1.1963 1079.0 15.194 22 | 2.2014 1079.0 21.402 23 | 3.3895 1079.0 27.15 24 | 4.7119 1079.0 31.806 25 | 6.6203 1079.0 36.369 26 | 8.838 1079.0 40.23 27 | 11.263 1079.0 43.389 28 | 13.961 1079.0 46.39 29 | 16.113 1079.0 48.444 30 | 19.771 1079.0 51.312 31 | 22.429 1079.0 53.17 32 | 26.034 1079.0 55.357 33 | 30.843 1079.0 57.831 34 | 44.332 1079.0 62.823 35 | 51.111 1079.0 64.822 36 | 60.714 1079.0 66.918 37 | 71.021 1079.0 68.712 38 | 81.023 1079.0 70.084 39 | 91.016 1079.0 71.236 40 | 100.97 1079.0 72.251 41 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_A.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2017-06-17T12:27:21 4 | _exptl_instrument 'TriStar II 3020 3.02' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature 77.3 7 | _adsnt_sample_mass 0.1013 8 | _adsnt_sample_id 'Sample A' 9 | _adsnt_material_id 'Sample_A' 10 | _units_temperature 'K' 11 | _units_pressure 'mmHg' 12 | _units_mass 'g' 13 | _units_loading 'cm³/g STP' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 4.907968997955322 734.1160888671875 28.759507494882065 21 | 38.408668518066406 734.1487426757812 40.31975001064183 22 | 51.70123291015625 734.2459716796875 42.601724161482956 23 | 65.29435729980469 734.2622680664062 44.598869599849614 24 | 80.2061538696289 734.172607421875 46.54509677359008 25 | 98.5450210571289 734.1481323242188 48.7672047046794 26 | 109.95885467529297 734.1556396484375 50.073012046187124 27 | 128.21078491210938 734.2426147460938 52.11640931082066 28 | 146.6276092529297 734.340576171875 54.1337272143495 29 | 165.1337432861328 734.3068237304688 56.14201785288045 30 | 183.66555786132812 734.28 58.14973737295428 31 | 202.12423706054688 734.2903442382812 60.183090365292216 32 | 220.5950927734375 734.3053588867188 62.2972070612926 33 | 235.70416259765625 734.322998046875 63.99234709588304 34 | 250.4473876953125 734.3302001953125 65.74106624135621 35 | 276.3736572265625 734.3739013671875 68.91753471126084 36 | 306.0405578613281 734.360595703125 72.80826264410992 37 | 335.2607727050781 734.3453979492188 76.94051210240582 38 | 364.1418151855469 734.362060546875 81.4309842832534 39 | 392.8425598144531 734.419189453125 86.49981873370795 40 | 421.7850036621094 734.3931274414062 92.4031475615429 41 | 455.4725646972656 734.4348754882812 101.15828681741999 42 | 480.24456787109375 734.5614013671875 109.07800883728589 43 | 511.9776611328125 734.3942260742188 122.41220127830184 44 | 539.1403198242188 734.3860473632812 139.54325613720943 45 | 560.6414794921875 734.429443359375 160.34152029358393 46 | 571.3635864257812 734.36474609375 173.45418279273048 47 | 586.235595703125 734.3583374023438 196.71599836522597 48 | 596.5820922851562 734.28564453125 215.47206276992387 49 | 601.3707885742188 734.3290405273438 224.24441029231093 50 | 615.6436157226562 734.3040771484375 247.38587906021132 51 | 627.2042236328125 734.3484497070312 266.88178890602495 52 | 640.673828125 734.2699584960938 289.41703699377274 53 | 650.1590576171875 734.31689453125 303.7235163639625 54 | 657.043701171875 734.4408569335938 314.8547794992435 55 | 665.4505004882812 734.3060302734375 328.9971258529222 56 | 674.9307861328125 734.4854736328125 341.09964513079603 57 | 679.2659301757812 734.4869384765625 347.1888397194616 58 | 690.6725463867188 734.6363525390625 358.6172565771154 59 | 693.3223876953125 734.7796630859375 362.2817810339242 60 | 704.24658203125 734.86865234375 371.35540272400874 61 | 710.279541015625 735.0430297851562 375.3528526848715 62 | 711.3345947265625 734.9357299804688 376.7062384096052 63 | 717.9402465820312 734.9258422851562 380.4982077072499 64 | 725.5211181640625 735.051025390625 384.2743935041753 65 | 731.29443359375 735.0590209960938 388.4553359678336 66 | 732.3176879882812 734.882568359375 389.2714734506774 67 | 733.6473999023438 734.7591552734375 390.0934582687731 68 | 69 | loop_ 70 | _desorp_pressure 71 | _desorp_p0 72 | _desorp_amount 73 | 721.7958984375 734.668212890625 387.9581657301926 74 | 710.411376953125 734.626708984375 386.1940974222909 75 | 699.1099853515625 734.5822143554688 384.5325880038158 76 | 698.4739379882812 734.6199951171875 384.29759671827827 77 | 689.4239501953125 734.63232421875 383.0834502524028 78 | 675.6845703125 734.55224609375 380.51937389930816 79 | 669.2847900390625 734.5023193359375 379.0329706056041 80 | 662.2924194335938 734.4608154296875 377.04016756171075 81 | 654.9365844726562 734.4251098632812 374.613035158646 82 | 632.3369750976562 734.5169067382812 361.62836166481276 83 | 610.3450317382812 734.4725341796875 341.7143740065379 84 | 602.5728759765625 734.488525390625 332.7875231126447 85 | 586.2046508789062 734.390869140625 310.1495024560537 86 | 576.1646728515625 734.3377075195312 291.885702204706 87 | 565.6010131835938 734.1676635742188 266.4565959968215 88 | 556.946533203125 734.1019897460938 244.03142240325275 89 | 550.0069580078125 734.0906372070312 225.35888313259707 90 | 545.9837036132812 734.001953125 215.46541416584006 91 | 535.4099731445312 733.9252319335938 190.17114232164369 92 | 525.2619018554688 733.8964233398438 168.4293473259392 93 | 517.6817016601562 733.8922729492188 154.06314133833112 94 | 500.35406494140625 733.8843994140625 130.91485486524974 95 | 486.89404296875 734.12939453125 119.06156163606964 96 | 459.5657043457031 734.0602416992188 105.02110350775347 97 | 425.1888122558594 733.9550170898438 94.34367031605211 98 | 392.2554016113281 733.877685546875 86.91625312722712 99 | 358.4405212402344 733.83349609375 80.69158087267118 100 | 340.7041931152344 733.8342895507812 77.82619378862489 101 | 311.47772216796875 733.9049072265625 73.47605821355866 102 | 281.3989562988281 733.904296875 69.41519525470996 103 | 252.00375366210938 733.8107299804688 65.71997875544223 104 | 222.3384552001953 733.8056640625 62.19101537395404 105 | 185.77139282226562 733.8519287109375 58.047293317386604 106 | 149.35523986816406 733.89111328125 54.027444839900184 107 | 112.58240509033203 733.9122924804688 49.91769053534808 108 | 78.14105987548828 734.024658203125 45.772488177900655 109 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_A.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_A.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_B.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_B.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_C.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Scott' 3 | _exptl_date 1970-01-01T00:00:00 4 | _exptl_instrument '3Flex 5.02' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature 77.3 7 | _adsnt_sample_mass 1.0 8 | _adsnt_sample_id 'default' 9 | _adsnt_material_id 'Sample_C' 10 | _units_temperature 'K' 11 | _units_pressure 'relative' 12 | _units_mass 'g' 13 | _units_loading 'cm³/g STP' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_amount 19 | 5.369984137360007e-07 14.453500042511042 20 | 1.729997165966779e-06 28.981000274608455 21 | 4.379995516501367e-06 43.454701042474305 22 | 8.9899986051023e-06 57.93500285269464 23 | 1.73999578692019e-05 72.46250690585275 24 | 3.639992792159319e-05 86.93871733283721 25 | 9.249988943338394e-05 101.43505139085302 26 | 0.000389 115.83924681219952 27 | 0.00274 129.82594856579112 28 | 0.00285 130.07403067497668 29 | 0.00385 131.54477432309878 30 | 0.00487 132.69554018619073 31 | 0.00579 133.50223471561122 32 | 0.00688 134.3120626740195 33 | 0.00784407 134.9968017441308 34 | 0.00864175 135.48441503220874 35 | 0.00967452 135.99420901606987 36 | 0.019699 139.20903197338404 37 | 0.029071 140.85845505936285 38 | 0.0416588 142.4275534172748 39 | 0.0494728 143.14786751349953 40 | 0.0610463 144.08729780900518 41 | 0.071804 144.7340892793784 42 | 0.0810161 145.26867607158303 43 | 0.0905019 145.74751528424926 44 | 0.10045700000000002 146.180764442391 45 | 0.143854 147.61299834554373 46 | 0.200745 148.99519026729445 47 | 0.252931 150.021028249663 48 | 0.302755 150.8493247207894 49 | 0.351879 151.57045836325207 50 | 0.397676 152.18506533151364 51 | 0.44869 152.80068861924832 52 | 0.49833500000000003 153.342464400828 53 | 0.549024 153.82648669956126 54 | 0.598654 154.2849683526021 55 | 0.648478 154.73706433333388 56 | 0.7008970000000001 155.1608607064291 57 | 0.741723 155.40584847493096 58 | 0.773303 155.68379866758403 59 | 0.80503 155.94901511987518 60 | 0.839884 156.23841646774872 61 | 0.871907 156.5354595470828 62 | 0.90285 156.85783223373542 63 | 0.932743 157.24376609034474 64 | 0.961246 157.8508259200968 65 | 0.98391 159.16460695037506 66 | 67 | loop_ 68 | _desorp_pressure 69 | _desorp_amount 70 | 0.98391 159.16460695037506 71 | 0.957057 157.93735138280277 72 | 0.903433 157.13379590545944 73 | 0.85376 156.6884021842165 74 | 0.8024810000000001 156.31032201276187 75 | 0.748849 155.94561135602376 76 | 0.700588 155.62341094627183 77 | 0.650793 155.27511279553238 78 | 0.60085 154.92909808792047 79 | 0.550601 154.55212020701086 80 | 0.500691 154.16182510963708 81 | 0.44997200000000004 153.73214334122414 82 | 0.400495 153.26290073173053 83 | 0.350459 152.75254680054547 84 | 0.300731 152.1668071343612 85 | 0.251472 151.39271309708062 86 | 0.200776 150.55394452969307 87 | 0.155327 149.60709743811861 88 | 0.101583 148.067727826255 89 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_C.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_C.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_D.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2021-09-02T13:46:34 4 | _exptl_instrument 'ASAP 2020 V3.01 H' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature -195.78 7 | _adsnt_sample_mass 0.0625 8 | _adsnt_sample_id 'TEST' 9 | _adsnt_material_id 'Sample_D' 10 | _units_temperature '°C' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'mmol/g' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.9981544193447114 101.50677986196767 2.4404238659481523 21 | 1.548323369886017 101.52428890396816 2.899898039734928 22 | 2.2775590439346316 101.54092718298509 3.353521819570097 23 | 2.622909852891541 101.54198920079467 3.40135002148925 24 | 3.0920224343444827 101.55296338482712 3.751697774559068 25 | 3.9781609059814453 101.55548166854777 4.168799766686883 26 | 4.615922936260986 101.5571199676977 4.522329838929499 27 | 5.05101909138794 101.55821216713099 4.782855468668565 28 | 5.304630902563477 101.55875826684763 4.911472100901285 29 | 5.3747901474060065 101.55942572205687 5.017630172326785 30 | 5.819665875704956 101.56033588825125 5.241423058656791 31 | 6.05678733998108 101.5610640212068 5.380819810129457 32 | 6.399320081698609 101.56161012092343 5.513289037474503 33 | 6.412807745150757 101.5631528452965 5.574995520268646 34 | 6.833208348413086 101.56741695193793 5.743627748763004 35 | 6.993963292868043 101.5694068683706 5.81397964155281 36 | 7.364961005767823 101.57224960613155 5.925096937776144 37 | 8.086676620852662 101.57509234389249 6.0547655031565455 38 | 8.960268819122314 101.57708226032514 6.156416212960386 39 | 9.83591112189331 101.57907217675782 6.258286808412883 40 | 10.72719138378296 101.58077781941441 6.349419697288378 41 | 11.766844080999757 101.58248346207095 6.4353213115232855 42 | 12.910978363018799 101.58362055717534 6.5068397002929865 43 | 14.166118353021242 101.58447337850363 6.572019045159234 44 | 15.49281517833252 101.58589474738412 6.655574626672762 45 | 17.035519069885254 101.58703184248847 6.7347132468946995 46 | 18.72170077862549 101.58788466381677 6.801378434498152 47 | 20.536064114282226 101.58873748514503 6.8672916705256455 48 | 22.525140498596194 101.58930603269725 6.923963621904234 49 | 24.73000729211426 101.58987458024943 6.985102863679244 50 | 27.13710156086426 101.5907274015777 7.046782584362377 51 | 29.796396827124024 101.59129594912989 7.1079400788484435 52 | 32.70385492921143 101.59186449668209 7.177832938339134 53 | 35.91125995056152 101.59243304423427 7.236140850465031 54 | 43.24249060883789 101.59300159178648 7.337994851251591 55 | 47.453542572436525 101.59357013933865 7.403016069320695 56 | 52.21961086992188 101.59385441311478 7.466892885599467 57 | 57.30199844194336 101.59442296066695 7.535308750153242 58 | 62.938796115014654 101.59470723444305 7.605645853760827 59 | 69.11899811850586 101.59527578199524 7.6805536369923235 60 | 75.92294861235352 101.59584432954742 7.762377328914806 61 | 83.28107729267579 101.59641287709962 7.912419056367372 62 | 91.76918329423829 101.59641287709962 8.028226452448394 63 | 96.36613704228516 101.59641287709962 8.157758774982273 64 | 101.07449115996094 101.59641287709962 8.645603934403361 65 | 66 | loop_ 67 | _desorp_pressure 68 | _desorp_p0 69 | _desorp_amount 70 | 95.05927806767579 101.59641287709961 8.367052139163196 71 | 89.80533067148438 101.59641287709962 8.289419218598423 72 | 84.75142383676759 101.59641287709962 8.267704322488015 73 | 79.77493578339845 101.59641287709961 8.261597223124014 74 | 74.81807502670898 101.59641287709961 8.257495117659824 75 | 71.77185673813477 101.59641287709961 8.263304731732115 76 | 64.89107335239258 101.59641287709962 8.251166268052357 77 | 61.83139994978028 101.59641287709961 8.248479388280856 78 | 54.98444354260254 101.59641287709962 8.228120572492314 79 | 51.9255838753418 101.59641287709962 8.218016120014829 80 | 46.99232144384766 101.59641287709962 8.192648127982132 81 | 42.01916970541993 101.59641287709961 8.164183350160306 82 | 37.075109005810546 101.5964128770996 8.13633337509877 83 | 32.13088962780762 101.59641287709961 8.094804424405869 84 | 27.149940270373538 101.59641287709962 8.043127702204618 85 | 22.194804632629396 101.59641287709961 7.974964643973226 86 | 17.237919463879397 101.59641287709962 7.880934765511655 87 | 12.30760275435791 101.5964128770996 7.741791285292077 88 | 7.472883165353394 101.59641287709961 7.464188096098782 89 | 3.4214545454864504 101.59641287709961 6.132534581248026 90 | 1.0501365329063417 101.59641287709962 4.889738980024986 91 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_D.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_D.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_E.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2021-04-15T10:29:18 4 | _exptl_instrument 'ASAP 2020 V3.01 H' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature -195.64 7 | _adsnt_sample_mass 0.0898 8 | _adsnt_sample_id 'TEST' 9 | _adsnt_material_id 'Sample_E' 10 | _units_temperature '°C' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'mmol/g' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.9855320490074159 103.1534054906698 0.12150316336563662 21 | 1.895163187390137 103.1581101587681 0.14089965041995867 22 | 2.513790993754578 103.16281482686637 0.15405480940689403 23 | 2.6326767114486698 103.16595127226523 0.15796128492361422 24 | 3.2547995111480716 103.16908771766408 0.16872748245252586 25 | 3.8554623295806887 103.17222416306294 0.17620690496127955 26 | 4.650964414837647 103.1753606084618 0.18541712847061634 27 | 5.125326352185059 103.17849705386067 0.1926656750296234 28 | 5.367589098129272 103.1816334992595 0.19812248917645314 29 | 5.60233191225586 103.18476994465838 0.2029606680295248 30 | 5.952546315692139 103.18633816735779 0.2070105540188851 31 | 6.167077469439698 103.18790639005722 0.20964208689403738 32 | 6.466944540921021 103.19104283545607 0.21408526343268575 33 | 6.54633917341919 103.1926110581555 0.21562308397534571 34 | 6.9258790731719975 103.19417928085494 0.2211048936768996 35 | 7.09399679680481 103.1973157262538 0.2239990096528862 36 | 7.4268827059295655 103.19888394895324 0.2280279589480839 37 | 8.160928445928956 103.20045217165267 0.23333190043477461 38 | 8.95620522821045 103.20358861705151 0.23918470370560124 39 | 9.840829134924316 103.20515683975094 0.24540220081119038 40 | 10.801856688134766 103.20829328514978 0.25200938751371177 41 | 11.856097625866699 103.20986150784923 0.2583451131481825 42 | 12.993668115106201 103.21299795324809 0.26737488167814 43 | 14.277418022900392 103.21456617594752 0.27411601852731515 44 | 15.679244998883057 103.21770262134636 0.2820613506127204 45 | 17.229548161450197 103.22083906674523 0.29008737317608685 46 | 18.918268724487305 103.22240728944466 0.2988366463718425 47 | 20.76487835778809 103.22554373484351 0.30845270783411155 48 | 22.822951362561035 103.22711195754292 0.31595081513953377 49 | 25.050692256811526 103.22868018024239 0.32596159331101504 50 | 27.51642429499512 103.23181662564122 0.3374040701591285 51 | 30.218072451965334 103.23495307104008 0.3505944138916834 52 | 33.174493010156255 103.23652129373951 0.36404609047355785 53 | 36.428759016064454 103.23965773913837 0.3746283055433806 54 | 43.91183675961914 103.24122596183778 0.39357719778215666 55 | 48.211907302001954 103.24436240723666 0.4089987161287419 56 | 53.00020278061524 103.2459306299361 0.42830363282537764 57 | 58.20477271567383 103.24906707533495 0.44777851733013685 58 | 63.91393994223633 103.25063529803435 0.46820283546370606 59 | 70.17959636367188 103.25377174343322 0.4915170398152842 60 | 77.07704504941407 103.25533996613265 0.520846661411917 61 | 84.64762375532227 103.25690818883209 0.5613883714175105 62 | 92.9259162338379 103.26004463423092 0.6409230660597036 63 | 97.92287786865235 103.26318107962982 0.7618576187343883 64 | 102.58562211987305 103.28356797472235 1.9317917659167152 65 | 66 | loop_ 67 | _desorp_pressure 68 | _desorp_p0 69 | _desorp_amount 70 | 97.54649271914063 103.29140908821951 1.2708668805100092 71 | 91.8470984541504 103.2961137563178 0.9118219160592117 72 | 86.37711245947266 103.29925020171665 0.7560146592691339 73 | 81.14446051743164 103.30238664711551 0.6877752370994722 74 | 76.04848356503906 103.30552309251435 0.6499737767536774 75 | 70.97232106845703 103.3070913152138 0.6263171130163188 76 | 67.83965967348634 103.31022776061266 0.6139015560334724 77 | 62.78494724077149 103.3117959833121 0.5959984550064674 78 | 57.76744285700684 103.31493242871096 0.5778634412904313 79 | 52.80246915886231 103.31493242871095 0.5644005755403787 80 | 47.806919354882815 103.31493242871093 0.5465948791070019 81 | 42.724063885034184 103.31493242871093 0.5313458677361027 82 | 37.70257219804688 103.31493242871095 0.5153101810977543 83 | 32.646287221765135 103.31493242871095 0.5010292466538062 84 | 27.616367270874026 103.31493242871095 0.48527244479981213 85 | 22.563969915234377 103.31493242871095 0.4683555684555886 86 | 17.520804387158204 103.31493242871096 0.4504890321651722 87 | 12.483655414837648 103.31493242871095 0.42984410288275593 88 | 7.464300800317384 103.31493242871095 0.40205717200590774 89 | 3.7398579996917727 103.31493242871095 0.3704957929194703 90 | 1.0196817880702973 103.31493242871095 0.3244446267101251 91 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_E.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_E.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_F.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'unknown' 3 | _exptl_date 2021-09-02T13:46:34 4 | _exptl_instrument 'ASAP 2020 V3.01 H' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature -195.78 7 | _adsnt_sample_mass 0.0625 8 | _adsnt_sample_id 'TEST' 9 | _adsnt_material_id 'Sample_F' 10 | _units_temperature '°C' 11 | _units_pressure 'kPa' 12 | _units_mass 'g' 13 | _units_loading 'mmol/g' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.9981544193447114 101.50677986196767 2.4404238659481523 21 | 1.548323369886017 101.52428890396816 2.899898039734928 22 | 2.2775590439346316 101.54092718298509 3.353521819570097 23 | 2.622909852891541 101.54198920079467 3.40135002148925 24 | 3.0920224343444827 101.55296338482712 3.751697774559068 25 | 3.9781609059814453 101.55548166854777 4.168799766686883 26 | 4.615922936260986 101.5571199676977 4.522329838929499 27 | 5.05101909138794 101.55821216713099 4.782855468668565 28 | 5.304630902563477 101.55875826684763 4.911472100901285 29 | 5.3747901474060065 101.55942572205687 5.017630172326785 30 | 5.819665875704956 101.56033588825125 5.241423058656791 31 | 6.05678733998108 101.5610640212068 5.380819810129457 32 | 6.399320081698609 101.56161012092343 5.513289037474503 33 | 6.412807745150757 101.5631528452965 5.574995520268646 34 | 6.833208348413086 101.56741695193793 5.743627748763004 35 | 6.993963292868043 101.5694068683706 5.81397964155281 36 | 7.364961005767823 101.57224960613155 5.925096937776144 37 | 8.086676620852662 101.57509234389249 6.0547655031565455 38 | 8.960268819122314 101.57708226032514 6.156416212960386 39 | 9.83591112189331 101.57907217675782 6.258286808412883 40 | 10.72719138378296 101.58077781941441 6.349419697288378 41 | 11.766844080999757 101.58248346207095 6.4353213115232855 42 | 12.910978363018799 101.58362055717534 6.5068397002929865 43 | 14.166118353021242 101.58447337850363 6.572019045159234 44 | 15.49281517833252 101.58589474738412 6.655574626672762 45 | 17.035519069885254 101.58703184248847 6.7347132468946995 46 | 18.72170077862549 101.58788466381677 6.801378434498152 47 | 20.536064114282226 101.58873748514503 6.8672916705256455 48 | 22.525140498596194 101.58930603269725 6.923963621904234 49 | 24.73000729211426 101.58987458024943 6.985102863679244 50 | 27.13710156086426 101.5907274015777 7.046782584362377 51 | 29.796396827124024 101.59129594912989 7.1079400788484435 52 | 32.70385492921143 101.59186449668209 7.177832938339134 53 | 35.91125995056152 101.59243304423427 7.236140850465031 54 | 43.24249060883789 101.59300159178648 7.337994851251591 55 | 47.453542572436525 101.59357013933865 7.403016069320695 56 | 52.21961086992188 101.59385441311478 7.466892885599467 57 | 57.30199844194336 101.59442296066695 7.535308750153242 58 | 62.938796115014654 101.59470723444305 7.605645853760827 59 | 69.11899811850586 101.59527578199524 7.6805536369923235 60 | 75.92294861235352 101.59584432954742 7.762377328914806 61 | 83.28107729267579 101.59641287709962 7.912419056367372 62 | 91.76918329423829 101.59641287709962 8.028226452448394 63 | 96.36613704228516 101.59641287709962 8.157758774982273 64 | 101.07449115996094 101.59641287709962 8.645603934403361 65 | 66 | loop_ 67 | _desorp_pressure 68 | _desorp_p0 69 | _desorp_amount 70 | 95.05927806767579 101.59641287709961 8.367052139163196 71 | 89.80533067148438 101.59641287709962 8.289419218598423 72 | 84.75142383676759 101.59641287709962 8.267704322488015 73 | 79.77493578339845 101.59641287709961 8.261597223124014 74 | 74.81807502670898 101.59641287709961 8.257495117659824 75 | 71.77185673813477 101.59641287709961 8.263304731732115 76 | 64.89107335239258 101.59641287709962 8.251166268052357 77 | 61.83139994978028 101.59641287709961 8.248479388280856 78 | 54.98444354260254 101.59641287709962 8.228120572492314 79 | 51.9255838753418 101.59641287709962 8.218016120014829 80 | 46.99232144384766 101.59641287709962 8.192648127982132 81 | 42.01916970541993 101.59641287709961 8.164183350160306 82 | 37.075109005810546 101.5964128770996 8.13633337509877 83 | 32.13088962780762 101.59641287709961 8.094804424405869 84 | 27.149940270373538 101.59641287709962 8.043127702204618 85 | 22.194804632629396 101.59641287709961 7.974964643973226 86 | 17.237919463879397 101.59641287709962 7.880934765511655 87 | 12.30760275435791 101.5964128770996 7.741791285292077 88 | 7.472883165353394 101.59641287709961 7.464188096098782 89 | 3.4214545454864504 101.59641287709961 6.132534581248026 90 | 1.0501365329063417 101.59641287709962 4.889738980024986 91 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_F.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_F.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_G.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_G.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_H.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'Troy' 3 | _exptl_date 2019-06-17T15:59:45 4 | _exptl_instrument '3Flex 5.00' 5 | _exptl_adsorptive 'N2' 6 | _exptl_temperature 77.5 7 | _adsnt_sample_mass 0.9813 8 | _adsnt_sample_id 'Ryan_p56-b3' 9 | _adsnt_material_id 'Sample_H' 10 | _units_temperature 'K' 11 | _units_pressure 'mmHg' 12 | _units_mass 'g' 13 | _units_loading 'cm³/g STP' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 22.117992401123047 773.3416137695312 0.02326698210232674 21 | 38.60603713989258 773.3323364257812 0.03780802327731132 22 | 57.66897964477539 773.2852172851562 0.048884806084724744 23 | 76.89998626708984 773.28076171875 0.05843075453547414 24 | 96.11579895019531 773.3186645507812 0.06471609624387045 25 | 115.52991485595703 773.2510375976562 0.07145783011619654 26 | 134.69195556640625 773.2415161132812 0.07397193645260688 27 | 153.9459991455078 773.2778930664062 0.07736655937178609 28 | 173.11973571777344 773.2476196289062 0.0789871886580346 29 | 192.3378448486328 773.2728881835938 0.08133638754326042 30 | 211.573974609375 773.291015625 0.08093991009674975 31 | 230.82672119140625 773.2548217773438 0.08093943366157856 32 | 269.6531066894531 773.2429809570312 0.08187464807071392 33 | 308.0505065917969 773.2410888671875 0.08341670707396005 34 | 346.5832824707031 773.2389526367188 0.08636664803120264 35 | 385.3072509765625 773.2103881835938 0.09117240169117358 36 | 423.99359130859375 773.2109375 0.09289194861710645 37 | 462.20709228515625 773.2299194335938 0.09795631405709583 38 | 522.8439331054688 773.1793212890625 0.11790292675082159 39 | 583.0363159179688 773.1837768554688 0.13449043062143323 40 | 643.1342163085938 773.0695190429688 0.16209521466773502 41 | 702.8296508789062 773.0489501953125 0.21571545159035493 42 | 755.21630859375 773.0641479492188 0.3613637749313128 43 | 771.5043334960938 773.0238647460938 2.485743427298556 44 | 772.9158325195312 772.9158325195312 8.295774765979779 45 | 46 | loop_ 47 | _desorp_pressure 48 | _desorp_p0 49 | _desorp_amount 50 | 769.9170532226562 772.893310546875 0.7405586150574124 51 | 741.9077758789062 772.88916015625 0.3041158944336265 52 | 711.4451293945312 772.8555297851562 0.222525489426558 53 | 652.1387939453125 772.8618774414062 0.15428747532746268 54 | 592.0062255859375 772.8734741210938 0.11693146319592962 55 | 531.7821655273438 772.8899536132812 0.0934934434239171 56 | 470.20428466796875 772.8937377929688 0.08154981438952492 57 | 409.293701171875 772.8657836914062 0.07407815944886778 58 | 387.0409240722656 772.8842163085938 0.06978085529846846 59 | 347.9718933105469 772.8573608398438 0.06947650083069512 60 | 308.75311279296875 772.9047241210938 0.06879444059814105 61 | 270.26531982421875 772.8551635742188 0.06899698790887288 62 | 231.79141235351562 772.8771362304688 0.06721431799429654 63 | 212.73495483398438 772.879150390625 0.06577382556885088 64 | 192.9521484375 772.8920288085938 0.06378553291991226 65 | 174.04061889648438 772.9002685546875 0.061208336552906986 66 | 154.68580627441406 772.9203491210938 0.05889419911177338 67 | 135.37728881835938 772.9398803710938 0.05573253461475319 68 | 116.05023193359375 772.8897094726562 0.051707538047532184 69 | 96.53575897216797 772.8943481445312 0.046805876491593124 70 | 77.30721282958984 772.9948120117188 0.039958566784328436 71 | 58.004085540771484 773.0050659179688 0.032487990854020155 72 | 38.67947769165039 773.0082397460938 0.023437838705852712 73 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_H.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_H.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_I.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_I.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_J.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_J.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_K.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_K.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_L.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_L.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_M.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'XXX' 3 | _exptl_date 2012-05-09T14:53:01 4 | _exptl_instrument 'Flex 6.01' 5 | _exptl_adsorptive 'nC6' 6 | _exptl_temperature 298.15 7 | _adsnt_sample_mass 0.0269 8 | _adsnt_sample_id 'Activated Carbon Hexane Dosed from Port 3 - 1' 9 | _adsnt_material_id 'Sample_M' 10 | _units_temperature 'K' 11 | _units_pressure 'mmHg' 12 | _units_mass 'g' 13 | _units_loading 'cm³/g STP' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.0021483544260263443 132.9254913330078 2.164780408143848 21 | 0.0039457581005990505 123.52440643310547 4.328967669782538 22 | 0.005777491722255945 123.19110870361328 6.463650705205818 23 | 0.007879180833697319 122.88350677490234 8.606245179252976 24 | 0.010281751863658428 122.66485595703125 10.745596202036547 25 | 0.013239513151347637 122.83235931396484 12.885705009365491 26 | 0.01711374893784523 122.7255630493164 15.007093123680786 27 | 0.02216292917728424 122.59101867675781 17.140455915265782 28 | 0.02887224219739437 122.53792572021484 19.268960723934974 29 | 0.03699934110045433 122.53900146484375 21.37523817730993 30 | 0.04739464819431305 122.50846099853516 23.476118995508347 31 | 0.06037357077002525 122.4831771850586 25.54510058236715 32 | 0.07646552473306656 122.47461700439453 27.62418995900469 33 | 0.09573867172002792 122.47615814208984 29.67545162339919 34 | 0.11945752054452896 122.41658020019531 31.728816397454036 35 | 0.1476791650056839 122.42556762695312 33.77293980563939 36 | 0.31834688782691956 122.33592224121094 41.6418566310585 37 | 0.5822041630744934 122.3161392211914 48.25044711422726 38 | 1.3139495849609375 122.28614807128906 57.89980265218759 39 | 2.401466131210327 122.28614807128906 65.69938059703512 40 | 3.492412805557251 122.22598266601562 70.90623199848353 41 | 5.05159854888916 122.22598266601562 76.37017550760623 42 | 6.035593509674072 122.22598266601562 79.11089600450725 43 | 7.311549186706543 122.22598266601562 82.16615638275141 44 | 8.782817840576172 122.22598266601562 85.16439864501164 45 | 10.289148330688477 122.22598266601562 87.85266868075074 46 | 11.693183898925781 122.22598266601562 89.98660437596112 47 | 13.059572219848633 122.22598266601562 91.90138020352582 48 | 17.87309455871582 122.22598266601562 97.50447777864494 49 | 24.054576873779297 122.22598266601562 102.8911623456021 50 | 30.50473403930664 122.22598266601562 107.53336301936434 51 | 36.90751647949219 122.22598266601562 111.5322889433827 52 | 43.19569396972656 122.22598266601562 115.17442616569724 53 | 48.605323791503906 122.22598266601562 118.1432299497191 54 | 54.99491500854492 122.22598266601562 121.57328104343426 55 | 61.03831481933594 122.22598266601562 124.8436692328074 56 | 67.04536437988281 122.22598266601562 128.0544830578243 57 | 72.89669036865234 122.22598266601562 131.28959239860768 58 | 78.96922302246094 122.22598266601562 134.75143979084598 59 | 85.58406066894531 122.22598266601562 138.64082896416562 60 | 91.611572265625 122.22598266601562 142.18369036826536 61 | 97.50874328613281 122.22598266601562 145.63108495830483 62 | 103.65738677978516 122.22598266601562 149.0474036203679 63 | 109.75807189941406 122.22598266601562 151.98082475831532 64 | 65 | loop_ 66 | _desorp_pressure 67 | _desorp_p0 68 | _desorp_amount 69 | 104.15409088134766 122.22598266601562 150.835675931036 70 | 97.08119201660156 122.22598266601562 149.01476212248798 71 | 91.21746826171875 122.22598266601562 147.09566386110333 72 | 85.21868133544922 122.22598266601562 144.70990756035957 73 | 79.12156677246094 122.22598266601562 141.96668782425718 74 | 71.61563110351562 120.8908920288086 138.3109611830473 75 | 66.17794799804688 120.8908920288086 135.47771621601592 76 | 60.29155349731445 120.8908920288086 132.27966198140058 77 | 54.29817581176758 120.8908920288086 128.78920073986944 78 | 48.3142204284668 120.8908920288086 125.21701442539589 79 | 42.353355407714844 120.8908920288086 121.43025259339974 80 | 36.169010162353516 120.8908920288086 113.66660070076185 81 | 29.355905532836914 120.8908920288086 107.25914002685437 82 | 24.15329933166504 120.8908920288086 103.40641091570147 83 | 18.47796058654785 120.8908920288086 98.44528968526372 84 | 11.565978050231934 120.8908920288086 90.12136318474867 85 | 5.96594762802124 120.8908920288086 79.16 86 | 5.043035984039307 120.8908920288086 76.56737634015278 87 | 3.7281529903411865 120.8908920288086 72.0775137563348 88 | 2.508136510848999 120.8908920288086 66.53296399240585 89 | 1.244208574295044 120.8908920288086 57.518446837781184 90 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_M.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_M.xls -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_N.aif_tst: -------------------------------------------------------------------------------- 1 | data_raw2aif 2 | _exptl_operator 'EB/KP' 3 | _exptl_date 2022-11-07T18:32:56 4 | _exptl_instrument 'MicroActive 6.00' 5 | _exptl_adsorptive 'Ar' 6 | _exptl_temperature 86.886 7 | _adsnt_sample_mass 0.0908 8 | _adsnt_sample_id '(Al)MIL-53 TV4' 9 | _adsnt_material_id 'Sample_N' 10 | _units_temperature 'K' 11 | _units_pressure 'mmHg' 12 | _units_mass 'g' 13 | _units_loading 'cm³/g STP' 14 | _audit_aif_version d546195 15 | 16 | loop_ 17 | _adsorp_pressure 18 | _adsorp_p0 19 | _adsorp_amount 20 | 0.004076557973674969 736.9168245032549 0.45530973390193574 21 | 0.028624105090823707 735.9625207568869 3.288685215278785 22 | 0.054489491277556985 734.674566042331 6.11288721695314 23 | 0.07308657601419216 733.5535920190628 8.941334474525519 24 | 0.2274637371301651 730.3275146484374 23.141856946004456 25 | 0.3389107882976532 729.3934936523438 37.38568048766148 26 | 0.3908270597457886 728.9930419921876 51.65805485306425 27 | 0.42577990889549255 729.2293701171875 66.00190418109011 28 | 0.4599103331565857 729.5130615234375 80.38424525156617 29 | 0.48978114128112793 729.5520629882814 94.74845045042424 30 | 0.5203372240066528 730.0880126953125 108.98339468799999 31 | 0.5556362867355347 730.1218872070312 123.23856590694315 32 | 0.5961573123931885 729.7463989257812 137.4578365205306 33 | 0.6437405347824097 729.0330810546876 151.63959965569535 34 | 0.6963178515434265 728.83349609375 165.771097404678 35 | 0.7546229958534241 728.6784057617188 180.00220696273223 36 | 0.7921118140220642 728.9751586914061 194.17949883275807 37 | 0.8421533107757568 729.1668701171875 208.36118420542877 38 | 0.8714845180511475 728.8753051757812 222.55408881396474 39 | 0.9378984570503235 728.796142578125 236.60171412551588 40 | 0.9870442152023315 728.7707519531251 250.76996741715408 41 | 1.0462344884872437 728.5450439453125 264.80201461284184 42 | 1.1185302734375 728.4030761718751 278.8596595077869 43 | 1.2023043632507324 727.4196166992186 292.8158707977768 44 | 1.3268909454345703 726.2970581054688 306.7308471973763 45 | 1.511518955230713 725.7822875976562 320.41771420926386 46 | 1.830995798110962 726.13623046875 333.9565297002328 47 | 2.540310859680176 725.8798217773438 346.7614527728585 48 | 4.631870269775391 725.728759765625 357.6162846499628 49 | 9.686710357666016 725.765625 364.3769977162522 50 | 15.629178047180176 725.6146850585938 367.3280554561393 51 | 20.72013282775879 725.5831298828125 368.9829158810552 52 | 29.06 725.608711223549 370.7959809644045 53 | 35.681419372558594 725.6040649414062 371.88988048077044 54 | 43.085426330566406 725.6435546875 372.8361674975299 55 | 51.01074981689453 725.7187499999999 373.6578351794866 56 | 58.306697845458984 725.7116699218749 374.31449015019444 57 | 65.561279296875 725.748046875 374.8821186028307 58 | 72.78731536865234 725.7437133789062 375.3745265157925 59 | 108.58238220214844 725.7216796875 377.1195455024609 60 | 145.93148803710938 725.7398681640625 378.39256693925563 61 | 182.3456573486328 725.7101440429688 379.31312747820726 62 | 218.14395141601562 725.68017578125 380.05357842953214 63 | 254.41366577148438 725.68115234375 380.6545548407144 64 | 290.76 725.651800841049 381.1664674998111 65 | 326.9267272949219 725.6742553710938 381.5974476188077 66 | 363.4153137207031 725.6622314453125 381.97775777221847 67 | 399.5476379394531 725.63671875 382.3130749635622 68 | 435.93377685546875 725.6403198242188 382.62610727108915 69 | 471.99176025390625 725.6536865234375 382.9316249385003 70 | 508.32861328125 725.6995849609375 383.2290777467129 71 | 544.6620483398438 725.7955322265625 383.5323882387796 72 | 581.0492553710938 725.7954711914062 383.8908650019623 73 | 616.8078002929688 725.784912109375 384.37541962865214 74 | 653.43310546875 725.8138427734374 385.09688459175277 75 | 671.711669921875 725.8145141601562 385.71870453826847 76 | 689.757568359375 725.8555908203125 386.52729924439143 77 | 717.2640380859375 725.8594970703125 389.3180644512063 78 | 722.5628051757812 725.8915405273436 393.3765894870865 79 | 80 | loop_ 81 | _desorp_pressure 82 | _desorp_p0 83 | _desorp_amount 84 | 693.3287353515625 725.8633422851561 387.1569683560337 85 | 671.9401245117188 725.859375 386.2061548350842 86 | 653.5820922851562 725.8416748046875 385.62 87 | 616.6920776367188 725.8242797851562 384.9704405428584 88 | 580.8999633789062 725.828369140625 384.56688756493924 89 | 544.2508544921875 725.8209228515625 384.25175239794316 90 | 508.05511474609375 725.7930210658483 384.0127494756045 91 | 471.7609558105469 725.823486328125 383.7869210417144 92 | 435.4074401855469 725.8124999999999 383.5233593885235 93 | 399.0123596191406 725.7962646484375 383.28370879630484 94 | 362.8163757324219 725.8545532226562 383.0371855527118 95 | 326.4617614746094 725.9202880859375 382.72995530101423 96 | 290.42364501953125 725.906257532441 382.2096366783652 97 | 253.89833068847656 725.8544311523438 381.76771439120193 98 | 217.77017211914062 725.8858055459483 381.2478944819405 99 | 181.49069213867188 725.8741608690345 380.6142945460326 100 | 145.28443908691406 725.8303833007812 379.800583066264 101 | 108.98110961914062 725.8217773437499 378.70536899085687 102 | 72.66961669921875 725.8043823242189 377.0519634439759 103 | -------------------------------------------------------------------------------- /test/database/micromeritics/Sample_N.xls: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/micromeritics/Sample_N.xls -------------------------------------------------------------------------------- /test/database/problems/CEP 3xx-2-B 120529.DAT: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AIF-development-team/adsorptioninformationformat/a0d64754283352475caadeed9a30b7cd5214a92c/test/database/problems/CEP 3xx-2-B 120529.DAT -------------------------------------------------------------------------------- /test/database/problems/IS217C-C2H2-298K.csv: -------------------------------------------------------------------------------- 1 | ?????;IS217C-C2H2-298K.DAT;;;;;; 2 | ???;17.01.2019;;;;;; 3 | ????;12:54:23;;;;;; 4 | ?????;IS217C-C2H2-298K;;;;;; 5 | ?????;hante;;;;;; 6 | ?????;overnight 85C;;;;;; 7 | ?????;; ???????5.081E-6Pa;;;;; 8 | ????????;BELmax 00067;;;;;; 9 | ?????;;;;;;; 10 | ??????;0.9743;[g];;;;; 11 | ????????;24.616;[cm^3];;;;; 12 | ????????;21.567;[cm^3];;;;; 13 | ????;0;[SEC];;;;; 14 | ?????;C2H2;;;;;; 15 | ???????;0;[?];;;;; 16 | ????;298;[K];;;;; 17 | ?????;101.33;[kPa];;;;; 18 | ?????;0;[nm^2];;;;; 19 | ???????????;;;;;;; 20 | ????????;;;;;;; 21 | ????????;;;;;;; 22 | ??????;16;;;;;; 23 | ??????;30;;;;;; 24 | ;;;;;;; 25 | No;pi/kPa;pe/kPa;pe/bar;pe2/kPa;p0/kPa;p/p0;Va/cm^3(STP) g^-1 26 | ADS;;;;;;; 27 | 1;0;2.2337;0.022337;0;101.33;2.20E-02;0.3436 28 | 2;0;6.0677;0.060677;0;101.33;5.99E-02;0.8789 29 | 3;0;9.5175;0.095175;0;101.33;9.39E-02;1.2974 30 | 4;0;13.516;0.13516;0;101.33;0.1334;1.7274 31 | 5;0;17.682;0.17682;0;101.33;0.1745;2.1256 32 | 6;0;21.866;0.21866;0;101.33;0.2158;2.4842 33 | 7;0;28.006;0.28006;0;101.33;0.2764;2.9419 34 | 8;0;34.249;0.34249;0;101.33;0.338;3.3547 35 | 9;0;40.501;0.40501;0;101.33;0.3997;3.7212 36 | 10;0;48.437;0.48437;0;101.33;0.478;4.1343 37 | 11;0;54.928;0.54928;0;101.33;0.5421;4.4474 38 | 12;0;65.07;0.6507;0;101.33;0.6422;4.868 39 | 13;0;75.32;0.7532;0;101.33;0.7433;5.2445 40 | 14;0;85.637;0.85637;0;101.33;0.8451;5.5801 41 | 15;0;95.906;0.95906;0;101.33;0.9465;5.8734 42 | 16;0;105.23;1.0523;0;101.33;1.0385;6.1354 43 | DES;;;0;;;; 44 | 1;0;94.848;0.94848;0;101.33;0.936;5.857 45 | 2;0;91.448;0.91448;0;101.33;0.9025;5.7641 46 | 3;0;88.046;0.88046;0;101.33;0.8689;5.6633 47 | 4;0;84.685;0.84685;0;101.33;0.8357;5.5607 48 | 5;0;81.317;0.81317;0;101.33;0.8025;5.455 49 | 6;0;77.97;0.7797;0;101.33;0.7695;5.3425 50 | 7;0;74.623;0.74623;0;101.33;0.7364;5.2293 51 | 8;0;71.295;0.71295;0;101.33;0.7036;5.1061 52 | 9;0;67.994;0.67994;0;101.33;0.671;4.9837 53 | 10;0;64.713;0.64713;0;101.33;0.6386;4.8513 54 | 11;0;61.443;0.61443;0;101.33;0.6064;4.7204 55 | 12;0;58.188;0.58188;0;101.33;0.5742;4.5844 56 | 13;0;54.958;0.54958;0;101.33;0.5424;4.439 57 | 14;0;51.754;0.51754;0;101.33;0.5107;4.2882 58 | 15;0;48.572;0.48572;0;101.33;0.4793;4.1333 59 | 16;0;45.407;0.45407;0;101.33;0.4481;3.9742 60 | 17;0;42.258;0.42258;0;101.33;0.417;3.8066 61 | 18;0;39.14;0.3914;0;101.33;0.3863;3.6317 62 | 19;0;36.06;0.3606;0;101.33;0.3559;3.4483 63 | 20;0;33.009;0.33009;0;101.33;0.3258;3.2578 64 | 21;0;29.985;0.29985;0;101.33;0.2959;3.0587 65 | 22;0;26.993;0.26993;0;101.33;0.2664;2.8493 66 | 23;0;24.047;0.24047;0;101.33;0.2373;2.6304 67 | 24;0;21.124;0.21124;0;101.33;0.2085;2.4004 68 | 25;0;18.268;0.18268;0;101.33;0.1803;2.1554 69 | 26;0;15.453;0.15453;0;101.33;0.1525;1.8958 70 | 27;0;12.681;0.12681;0;101.33;0.1251;1.6228 71 | 28;0;9.9916;0.099916;0;101.33;9.86E-02;1.3283 72 | 29;0;4.7386;0.047386;0;101.33;4.68E-02;0.6756 73 | 30;0;0.9932;0.009932;0;101.33;9.80E-03;0.1034 74 | -------------------------------------------------------------------------------- /test/database/problems/IS217C-C2H2-298K.txt: -------------------------------------------------------------------------------- 1 | ?????;IS217C-C2H2-298K.DAT;;;;;; 2 | ???;17.01.2019;;;;;; 3 | ????;12:54:23;;;;;; 4 | ?????;IS217C-C2H2-298K;;;;;; 5 | ?????;hante;;;;;; 6 | ?????;overnight 85C;;;;;; 7 | ?????;; ???????5.081E-6Pa;;;;; 8 | ????????;BELmax 00067;;;;;; 9 | ?????;;;;;;; 10 | ??????;0.9743;[g];;;;; 11 | ????????;24.616;[cm^3];;;;; 12 | ????????;21.567;[cm^3];;;;; 13 | ????;0;[SEC];;;;; 14 | ?????;C2H2;;;;;; 15 | ???????;0;[?];;;;; 16 | ????;298;[K];;;;; 17 | ?????;101.33;[kPa];;;;; 18 | ?????;0;[nm^2];;;;; 19 | ???????????;;;;;;; 20 | ????????;;;;;;; 21 | ????????;;;;;;; 22 | ??????;16;;;;;; 23 | ??????;30;;;;;; 24 | ;;;;;;; 25 | No;pi/kPa;pe/kPa;pe/bar;pe2/kPa;p0/kPa;p/p0;Va/cm^3(STP) g^-1 26 | ADS;;;;;;; 27 | 1;0;2.2337;0.022337;0;101.33;2.20E-02;0.3436 28 | 2;0;6.0677;0.060677;0;101.33;5.99E-02;0.8789 29 | 3;0;9.5175;0.095175;0;101.33;9.39E-02;1.2974 30 | 4;0;13.516;0.13516;0;101.33;0.1334;1.7274 31 | 5;0;17.682;0.17682;0;101.33;0.1745;2.1256 32 | 6;0;21.866;0.21866;0;101.33;0.2158;2.4842 33 | 7;0;28.006;0.28006;0;101.33;0.2764;2.9419 34 | 8;0;34.249;0.34249;0;101.33;0.338;3.3547 35 | 9;0;40.501;0.40501;0;101.33;0.3997;3.7212 36 | 10;0;48.437;0.48437;0;101.33;0.478;4.1343 37 | 11;0;54.928;0.54928;0;101.33;0.5421;4.4474 38 | 12;0;65.07;0.6507;0;101.33;0.6422;4.868 39 | 13;0;75.32;0.7532;0;101.33;0.7433;5.2445 40 | 14;0;85.637;0.85637;0;101.33;0.8451;5.5801 41 | 15;0;95.906;0.95906;0;101.33;0.9465;5.8734 42 | 16;0;105.23;1.0523;0;101.33;1.0385;6.1354 43 | DES;;;0;;;; 44 | 1;0;94.848;0.94848;0;101.33;0.936;5.857 45 | 2;0;91.448;0.91448;0;101.33;0.9025;5.7641 46 | 3;0;88.046;0.88046;0;101.33;0.8689;5.6633 47 | 4;0;84.685;0.84685;0;101.33;0.8357;5.5607 48 | 5;0;81.317;0.81317;0;101.33;0.8025;5.455 49 | 6;0;77.97;0.7797;0;101.33;0.7695;5.3425 50 | 7;0;74.623;0.74623;0;101.33;0.7364;5.2293 51 | 8;0;71.295;0.71295;0;101.33;0.7036;5.1061 52 | 9;0;67.994;0.67994;0;101.33;0.671;4.9837 53 | 10;0;64.713;0.64713;0;101.33;0.6386;4.8513 54 | 11;0;61.443;0.61443;0;101.33;0.6064;4.7204 55 | 12;0;58.188;0.58188;0;101.33;0.5742;4.5844 56 | 13;0;54.958;0.54958;0;101.33;0.5424;4.439 57 | 14;0;51.754;0.51754;0;101.33;0.5107;4.2882 58 | 15;0;48.572;0.48572;0;101.33;0.4793;4.1333 59 | 16;0;45.407;0.45407;0;101.33;0.4481;3.9742 60 | 17;0;42.258;0.42258;0;101.33;0.417;3.8066 61 | 18;0;39.14;0.3914;0;101.33;0.3863;3.6317 62 | 19;0;36.06;0.3606;0;101.33;0.3559;3.4483 63 | 20;0;33.009;0.33009;0;101.33;0.3258;3.2578 64 | 21;0;29.985;0.29985;0;101.33;0.2959;3.0587 65 | 22;0;26.993;0.26993;0;101.33;0.2664;2.8493 66 | 23;0;24.047;0.24047;0;101.33;0.2373;2.6304 67 | 24;0;21.124;0.21124;0;101.33;0.2085;2.4004 68 | 25;0;18.268;0.18268;0;101.33;0.1803;2.1554 69 | 26;0;15.453;0.15453;0;101.33;0.1525;1.8958 70 | 27;0;12.681;0.12681;0;101.33;0.1251;1.6228 71 | 28;0;9.9916;0.099916;0;101.33;9.86E-02;1.3283 72 | 29;0;4.7386;0.047386;0;101.33;4.68E-02;0.6756 73 | 30;0;0.9932;0.009932;0;101.33;9.80E-03;0.1034 74 | -------------------------------------------------------------------------------- /test/test_parsers.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | # pylint: disable-msg=invalid-name # to allow non-conforming variable names 3 | # pylint: disable-msg=import-outside-toplevel # to allow on-the-fly import 4 | """ 5 | Test all parsers for all manufacturers 6 | """ 7 | 8 | import difflib 9 | import filecmp 10 | import json 11 | import sys 12 | from pathlib import Path 13 | 14 | import pytest 15 | 16 | from parsers import NISTjson 17 | 18 | from .conftest import (BELcsv_data, BELcsv_JIS_data, NIST_data, bel_data, 19 | mic_data, qnt_data) 20 | 21 | 22 | def run_raw2aif(args): 23 | """Run the raw2aif script.""" 24 | from raw2aif import main as raw2aif_main 25 | sys.argv = ['raw2aif.py'] + args 26 | raw2aif_main() 27 | 28 | 29 | def run_plotaif(args): 30 | """Run the plotaif script.""" 31 | from plotaif import main as plotaif_main 32 | sys.argv = ['plotaif.py'] + args 33 | plotaif_main() 34 | 35 | 36 | def general_parser(mat_id, file, ftype): 37 | """Run parser and compare files to test method.""" 38 | infile = Path(f'./test/database/{file}') 39 | outfile = infile.with_suffix('.aif') 40 | testfile = infile.with_suffix('.aif_tst') 41 | run_raw2aif([infile, ftype, mat_id]) 42 | if not filecmp.cmp(outfile, testfile, shallow=False): 43 | with open(outfile, encoding='utf8') as f, open(testfile, 44 | encoding='utf8') as g: 45 | flines = f.readlines() 46 | glines = g.readlines() 47 | d = difflib.Differ() 48 | diffs = [x for x in d.compare(flines, glines) if x[0] in ('+', '-')] 49 | if diffs: 50 | # all rows with changes 51 | print('\n'.join(diffs)) 52 | else: 53 | print('No changes') 54 | assert False # two files are not the same, check print for difference 55 | 56 | 57 | @pytest.mark.parametrize('mat_id, file', bel_data) 58 | def test_bel_parser(mat_id, file): 59 | """Test BEL Parser""" 60 | general_parser(mat_id, file, 'BELSORP-max') 61 | 62 | 63 | @pytest.mark.parametrize('data', bel_data) 64 | def test_bel_output(data): 65 | """Check BEL output""" 66 | outfile = Path(data[1]).with_suffix('.aif') 67 | run_plotaif([f'./test/database/{outfile}']) 68 | 69 | 70 | @pytest.mark.parametrize('mat_id, file', BELcsv_data) 71 | def test_BELcsv_parser(mat_id, file): 72 | """Test BEL CSV Parser""" 73 | general_parser(mat_id, file, 'BEL-csv') 74 | 75 | 76 | @pytest.mark.parametrize('data', BELcsv_data) 77 | def test_BELcsv_output(data): 78 | """Check BEL CSV output""" 79 | outfile = Path(data[1]).with_suffix('.aif') 80 | run_plotaif([f'./test/database/{outfile}']) 81 | 82 | 83 | @pytest.mark.parametrize('mat_id, file', BELcsv_JIS_data) 84 | def test_BELcsv_JIS_parser(mat_id, file): 85 | """Test BEL CSV Parser (Japanese)""" 86 | general_parser(mat_id, file, 'BEL-csv_JIS') 87 | 88 | 89 | @pytest.mark.parametrize('data', BELcsv_JIS_data) 90 | def test_BELcsv_JIS_output(data): 91 | """Check BEL CSV output (Japanese)""" 92 | outfile = Path(data[1]).with_suffix('.aif') 93 | run_plotaif([f'./test/database/{outfile}']) 94 | 95 | 96 | @pytest.mark.parametrize('mat_id, file', qnt_data) 97 | def test_qnt_parser(mat_id, file): 98 | """Test Quantachrome Parser""" 99 | general_parser(mat_id, file, 'quantachrome') 100 | 101 | 102 | @pytest.mark.parametrize('data', qnt_data) 103 | def test_qnt_output(data): 104 | """Check Quantachrome output""" 105 | outfile = Path(data[1]).with_suffix('.aif') 106 | run_plotaif([f'./test/database/{outfile}']) 107 | 108 | 109 | @pytest.mark.parametrize('mat_id, file', mic_data) 110 | def test_mic_parser(mat_id, file): 111 | """Test Micromeritics Parser""" 112 | general_parser(mat_id, file, 'micromeritics') 113 | 114 | 115 | @pytest.mark.parametrize('data', mic_data) 116 | def test_mic_output(data): 117 | """Check Micromeritics output""" 118 | outfile = Path(data[1]).with_suffix('.aif') 119 | run_plotaif([f'./test/database/{outfile}']) 120 | 121 | 122 | @pytest.mark.parametrize('mat_id, file', NIST_data) 123 | def test_NISTjson_parser(mat_id, file): 124 | """Test NIST JSON Parser""" 125 | general_parser(mat_id, file, 'NIST-json') 126 | 127 | 128 | @pytest.mark.parametrize('data', NIST_data) 129 | def test_NISTjson_output(data): 130 | """Check NIST JSON Parser""" 131 | outfile = Path(data[1]).with_suffix('.aif') 132 | run_plotaif([f'./test/database/{outfile}']) 133 | 134 | 135 | def test_aif2NISTjson(): 136 | """Test AIF to NIST JSON Parser""" 137 | jsonout = NISTjson.aif2json('examples/NK_DUT-6_LP_N2_114PKT.aif') 138 | try: 139 | json.loads(jsonout) 140 | except ValueError as e: 141 | raise ValueError('Error in AIF to JSON Conversion') from e 142 | --------------------------------------------------------------------------------