├── Images ├── readme.md ├── Capture.PNG ├── Screen Shot 2020-05-21 at 20.11.36.png ├── Screen Shot 2020-05-21 at 20.50.59.png ├── Screen Shot 2020-05-22 at 1.15.35.png ├── Screen Shot 2020-05-22 at 1.45.37.png ├── Screen Shot 2020-05-24 at 21.24.14.png ├── Screen Shot 2020-05-27 at 23.14.49.png ├── Screen Shot 2021-10-05 at 21.36.26.png └── Screen Shot 2021-10-07 at 0.03.56.png ├── Preset ├── Presets.zip └── readme.md ├── Python ├── elements.py ├── periodictable.py ├── vamas_export.py ├── xpspy.py ├── vamas.py ├── elementdata.py └── periodictableui.py ├── Example ├── readme.md ├── 111216_0459_O1s.csv ├── C1s_sample.csv ├── CK.csv ├── 111126_0100.csv ├── 170109_1712_Ef.csv ├── PET_C1s.csv └── Mutlipak_vms.npl ├── CITATION.cff ├── LICENSE └── README.md /Images/readme.md: -------------------------------------------------------------------------------- 1 | 2 | -------------------------------------------------------------------------------- /Images/Capture.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Capture.PNG -------------------------------------------------------------------------------- /Preset/Presets.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Preset/Presets.zip -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-21 at 20.11.36.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-21 at 20.11.36.png -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-21 at 20.50.59.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-21 at 20.50.59.png -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-22 at 1.15.35.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-22 at 1.15.35.png -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-22 at 1.45.37.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-22 at 1.45.37.png -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-24 at 21.24.14.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-24 at 21.24.14.png -------------------------------------------------------------------------------- /Images/Screen Shot 2020-05-27 at 23.14.49.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2020-05-27 at 23.14.49.png -------------------------------------------------------------------------------- /Images/Screen Shot 2021-10-05 at 21.36.26.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2021-10-05 at 21.36.26.png -------------------------------------------------------------------------------- /Images/Screen Shot 2021-10-07 at 0.03.56.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hidecode221b/LG4X/HEAD/Images/Screen Shot 2021-10-07 at 0.03.56.png -------------------------------------------------------------------------------- /Python/elements.py: -------------------------------------------------------------------------------- 1 | class Transition: 2 | def __init__(self, symbol, alka, aes): 3 | self.symbol = symbol 4 | self.alka = alka 5 | self.aes = aes 6 | 7 | -------------------------------------------------------------------------------- /Preset/readme.md: -------------------------------------------------------------------------------- 1 | 2 | You can unzip presets.zip file and choose the preset by "load" or "add" in preset menu. The preset files are based on the stadard binding energy table. Amplitude has to be optimized upon your intensity scale. 3 | -------------------------------------------------------------------------------- /Example/readme.md: -------------------------------------------------------------------------------- 1 | # sample data 2 | 1. 0-150W.vms: VAMAS format XPS data from AXIS Supra at NCTC with Al Kα source. 3 | 2. 111216_0459.csv: SR-based XPS survey spectrum in kinetic energy scale on ITO from BL3.2Ua (SLRI) at 600 eV of photon energy. 4 | 3. 111216_0459_O1s.csv: SR-based XPS O1s spectrum from BL3.2Ua (SLRI) at 600 eV of photon energy. 5 | 4. 170109_1712_Ef.csv: SR-based UPS the Fermi edge spectrum of gold from BL3.2Ua (SLRI). 6 | 5. C1s_sample.csv: XPS data from PHI 5000 VersaProbe II at BL5.3 (SLRI) with Al Kα source. 7 | 6. CK.csv: NEXAFS carbon K edge spectrum on DLC from BL3.2Ua (SLRI). 8 | 7. Multipak_vms.npl: VAMAS format XPS data from PHI 5000 VersaProbe II at BL5.3 (SLRI) with Al Kα source. 9 | 8. PET_C1s.csv: XPS data from PHI 5000 VersaProbe II at BL5.3 (SLRI) with Al Kα source. 10 | -------------------------------------------------------------------------------- /CITATION.cff: -------------------------------------------------------------------------------- 1 | # This CITATION.cff file was generated with cffinit. 2 | # Visit https://bit.ly/cffinit to generate yours today! 3 | 4 | cff-version: 1.2.0 5 | title: LG4X 6 | message: >- 7 | If you use this software, please cite it using the 8 | metadata from this file. 9 | type: software 10 | authors: 11 | - given-names: Hideki 12 | family-names: Nakajima 13 | email: hideki@slri.or.th 14 | affiliation: >- 15 | Synchrotron Light Research Institute (Public 16 | Organization) 17 | orcid: 'https://orcid.org/0000-0001-9167-1288' 18 | identifiers: 19 | - type: doi 20 | value: 10.5281/zenodo.3901523 21 | repository-code: 'https://github.com/hidecode221b/LG4X' 22 | abstract: >- 23 | LG4X provides a graphical user interface for XPS curve 24 | fitting analysis based on the lmfit package, the 25 | non-linear least-square minimization method on the python 26 | platform. 27 | keywords: 28 | - XPS 29 | license: MIT 30 | version: '0.081' 31 | date-released: '2020-06-19' 32 | -------------------------------------------------------------------------------- /Python/periodictable.py: -------------------------------------------------------------------------------- 1 | import sys 2 | from PyQt5.QtWidgets import QApplication, QWidget, QLineEdit, QCheckBox 3 | from PyQt5.QtCore import pyqtSignal 4 | from periodictableui import Ui_PeriodicTable 5 | from elements import Transition 6 | from elementdata import ElementData 7 | 8 | class PeriodicTable(QWidget): 9 | 10 | # Custom signal defined here 11 | elementEmitted = pyqtSignal(object, bool) 12 | 13 | def __init__(self): 14 | super().__init__() 15 | 16 | self.ui = Ui_PeriodicTable() 17 | self.ui.setupUi(self) 18 | 19 | # Element Objects 20 | self.elements = ElementData().xps 21 | self.periodicTable = {} 22 | #self.selectedElements = [] 23 | 24 | for element in self.elements: 25 | self.periodicTable[element['symbol']] = Transition(element['symbol'], element['alka'], element['aes']) 26 | #print(element['symbol']) 27 | 28 | # Iterates through all of the UI object names and connects slots/signals 29 | # This widget is highly dependent on the naming convention of the buttons 30 | # and line edits, changing the names will break the function assignments 31 | for name in dir(self.ui): 32 | # Element buttons: 33 | if 'ebtn' in name: 34 | btn = getattr(self.ui, name) 35 | btn.clicked[bool].connect(self.emitElement) 36 | elif 'Clear' in name: 37 | btn = getattr(self.ui, name) 38 | btn.clicked.connect(self.emitElement) 39 | elif 'Refresh' in name: 40 | btn = getattr(self.ui, name) 41 | btn.clicked.connect(self.emitElement) 42 | 43 | # Slot for element button clicked signal 44 | # Emits custom signal with elemental symbol and boolean 45 | def emitElement(self, checked): 46 | symbol = self.sender().text() 47 | elementObject = self.periodicTable[symbol] 48 | self.elementEmitted.emit(elementObject, checked) 49 | 50 | if symbol == 'Clear': 51 | for name in dir(self.ui): 52 | # Element buttons: 53 | if 'ebtn' in name: 54 | btnc = getattr(self.ui, name) 55 | btnc.setChecked(False) 56 | 57 | if __name__ == '__main__': 58 | app = QApplication(sys.argv) 59 | window = PeriodicTable() 60 | window.show() 61 | sys.exit(app.exec_()) 62 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | MIT License 2 | 3 | Copyright (c) 2020 Hideki NAKAJIMA 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 | 23 | Some codes in xpspy.py and vamas.py have been taken and modified from 24 | https://github.com/kaneod/physics/blob/master/python/specs.py 25 | and 26 | https://warwick.ac.uk/fac/sci/physics/research/condensedmatt/surface/people/james_mudd/igor/xps_background.ipf 27 | and their Licences are below. 28 | 29 | specs.py, vamas.py 30 | Copyright 2013 Kane O'Donnell https://github.com/kaneod/physics/tree/master/python 31 | 32 | This library is free software: you can redistribute it and/or modify 33 | it under the terms of the GNU General Public License as published by 34 | the Free Software Foundation, either version 3 of the License, or 35 | (at your option) any later version. 36 | 37 | This library is distributed in the hope that it will be useful, 38 | but WITHOUT ANY WARRANTY; without even the implied warranty of 39 | MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 40 | GNU General Public License for more details. 41 | 42 | You should have received a copy of the GNU General Public License 43 | along with this library. If not, see . 44 | 45 | xps_background.ipf 46 | Copyright James Mudd 2011 james.mudd@gmail.com 47 | 48 | 49 | Some codes in elementdata.py, element.py, periodictable.py, and periodictableui.py are modfified from the link below. 50 | Copyright Brendan Sweeny 2019 https://github.com/BrendanSweeny/clusterid 51 | 52 | 53 | -------------------------------------------------------------------------------- /Example/111216_0459_O1s.csv: -------------------------------------------------------------------------------- 1 | BE/eV,In111216_0459 2 | 546,8.30239 3 | 545.8,8.197874 4 | 545.6,8.187272 5 | 545.4,8.195189 6 | 545.2,8.121771 7 | 545,8.116025 8 | 544.8,8.033022 9 | 544.6,7.913207 10 | 544.4,8.004564 11 | 544.2,7.929674 12 | 544,8.022887 13 | 543.8,7.864402 14 | 543.6,8.022418 15 | 543.4,7.912855 16 | 543.2,7.828645 17 | 543,7.808863 18 | 542.8,7.799669 19 | 542.6,7.710996 20 | 542.4,7.717439 21 | 542.2,7.662754 22 | 542,7.731974 23 | 541.8,7.615068 24 | 541.6,7.651813 25 | 541.4,7.688565 26 | 541.2,7.595574 27 | 541,7.525867 28 | 540.8,7.488917 29 | 540.6,7.596256 30 | 540.4,7.44587 31 | 540.2,7.485723 32 | 540,7.477688 33 | 539.8,7.397612 34 | 539.6,7.449696 35 | 539.4,7.273792 36 | 539.2,7.291657 37 | 539,7.309724 38 | 538.8,7.241001 39 | 538.6,7.318027 40 | 538.4,7.232539 41 | 538.2,7.163646 42 | 538,7.230926 43 | 537.8,7.277848 44 | 537.6,7.295259 45 | 537.4,7.144678 46 | 537.2,7.146754 47 | 537,7.30253 48 | 536.8,7.27639 49 | 536.6,7.257176 50 | 536.4,7.299699 51 | 536.2,7.394862 52 | 536,7.34618 53 | 535.8,7.501924 54 | 535.6,7.507144 55 | 535.4,7.520224 56 | 535.2,7.50146 57 | 535,7.781539 58 | 534.8,7.767678 59 | 534.6,7.789971 60 | 534.4,7.956347 61 | 534.2,8.039284 62 | 534,7.933144 63 | 533.8,8.051826 64 | 533.6,8.053511 65 | 533.4,8.058201 66 | 533.2,7.918893 67 | 533,7.842079 68 | 532.8,7.820955 69 | 532.6,7.730577 70 | 532.4,7.441809 71 | 532.2,7.31755 72 | 532,7.175008 73 | 531.8,7.020998 74 | 531.6,6.834106 75 | 531.4,6.738084 76 | 531.2,6.465132 77 | 531,6.498783 78 | 530.8,6.308933 79 | 530.6,6.195622 80 | 530.4,6.114577 81 | 530.2,6.071842 82 | 530,6.120541 83 | 529.8,6.041092 84 | 529.6,6.009141 85 | 529.4,5.915896 86 | 529.2,5.941462 87 | 529,6.037352 88 | 528.8,6.017099 89 | 528.6,5.893982 90 | 528.4,5.928162 91 | 528.2,5.846058 92 | 528,5.842685 93 | 527.8,5.841857 94 | 527.6,5.887272 95 | 527.4,5.766801 96 | 527.2,5.87022 97 | 527,5.823931 98 | 526.8,5.780795 99 | 526.6,5.843256 100 | 526.4,5.804671 101 | 526.2,5.709889 102 | 526,5.807195 103 | 525.8,5.739928 104 | 525.6,5.826322 105 | 525.4,5.697381 106 | 525.2,5.845547 107 | 525,5.680898 108 | 524.8,5.736238 109 | 524.6,5.572338 110 | 524.4,5.649868 111 | 524.2,5.605674 112 | 524,5.699037 113 | 523.8,5.663034 114 | 523.6,5.613978 115 | 523.4,5.595292 116 | 523.2,5.631352 117 | 523,5.686999 118 | 522.8,5.665081 119 | 522.6,5.618745 120 | 522.4,5.569412 121 | 522.2,5.560181 122 | 522,5.610968 123 | 521.8,5.605661 124 | 521.6,5.515417 125 | 521.4,5.556867 126 | 521.2,5.582206 127 | 521,5.485799 128 | -------------------------------------------------------------------------------- /Python/vamas_export.py: -------------------------------------------------------------------------------- 1 | # XPS vamas format conversion into tab-delimited text files 2 | import sys, os, re 3 | import vamas 4 | 5 | def list_vms(filePath): 6 | vamas1 = vamas.VAMAS(filePath) # create instance 7 | 8 | print(str(vamas1.header.format)) 9 | print('Number of blocks: ' + str(vamas1.header.num_blocks)) 10 | #for x in vamas1.blocks: 11 | # print(str(x.name)) 12 | 13 | dir = os.path.dirname(filePath) 14 | fileName = os.path.basename(filePath) 15 | fileName = os.path.splitext(fileName)[0] 16 | list_file = [] 17 | #exit() 18 | p = 0 19 | for block in vamas1.blocks: 20 | p += 1 21 | id = block.sample + block.name 22 | id = ''.join(e for e in id if e.isalnum()) # remove special characters and leave alpha and num 23 | print(str(p) + ' : ' + str(id)) 24 | 25 | ElemD = block.species + block.transition 26 | ElemD = ''.join(e for e in ElemD if e.isalnum()) # remove special characters and leave alpha and num 27 | tfilePath = str(dir + os.sep + fileName + '_' + id + '_' + ElemD + '.txt') # filename exported from vms 28 | print(tfilePath) 29 | list_file.append(tfilePath) 30 | numData = int(float(block.num_ordinate_values) / float(block.num_corresponding_variables)) # equivalent to num_ods 31 | if vamas1.header.scan_mode == 'REGULAR': 32 | if block.abscissa_label.lower() == 'binding energy': 33 | strMode = 'BE/eV' 34 | if block.abscissa_label.lower() == 'kinetic energy': 35 | strMode = 'KE/eV' 36 | if block.abscissa_label.lower() == 'photon energy': 37 | strMode = 'PE/eV' 38 | 39 | Para = block.technique + ' source:' + str(block.source_energy) + ', spec:' + str(ElemD) + ', ' + strMode + ':' + str(block.abscissa_start) + ', dE:' + str(block.abscissa_increment) + ', pnts:' + str(numData) 40 | print(Para) 41 | if block.technique in ['XPS', 'UPS']: 42 | Text = 'BE/eV' + '\t' + 'PE: ' + str(block.source_energy) + ' eV' + '\n' # header of exported txt 43 | else: 44 | Text = strMode + '\t' + 'EE: ' + str(block.source_energy) + ' eV' + '\n' 45 | print(Text) 46 | for j in range(numData): 47 | if block.technique in ['XPS', 'UPS']: 48 | x = str(block.binding_axis[j]) 49 | else: 50 | x = str(block.axis[j]) 51 | y = str(block.data[0][j]) 52 | Text += x + '\t' + y + '\n' 53 | #if j == 0 or j == numData - 1: 54 | # print(x + '\t' + y) 55 | with open(tfilePath, 'w') as file: 56 | file.write(str(Text)) 57 | file.close 58 | 59 | return list_file 60 | 61 | -------------------------------------------------------------------------------- /Example/C1s_sample.csv: -------------------------------------------------------------------------------- 1 | BE/eV,InC1s_sample 2 | 301.5,1709 3 | 301.4,1798 4 | 301.3,1845 5 | 301.2,1722 6 | 301.1,1729 7 | 301,1699 8 | 300.9,1727 9 | 300.8,1693 10 | 300.7,1647 11 | 300.6,1684 12 | 300.5,1659 13 | 300.4,1650 14 | 300.3,1696 15 | 300.2,1642 16 | 300.1,1599 17 | 300,1671 18 | 299.9,1644 19 | 299.8,1540 20 | 299.7,1614 21 | 299.6,1607 22 | 299.5,1591 23 | 299.4,1573 24 | 299.3,1552 25 | 299.2,1646 26 | 299.1,1583 27 | 299,1584 28 | 298.9,1631 29 | 298.8,1553 30 | 298.7,1506 31 | 298.6,1595 32 | 298.5,1590 33 | 298.4,1543 34 | 298.3,1529 35 | 298.2,1533 36 | 298.1,1526 37 | 298,1529 38 | 297.9,1472 39 | 297.8,1558 40 | 297.7,1521 41 | 297.6,1534 42 | 297.5,1505 43 | 297.4,1477 44 | 297.3,1516 45 | 297.2,1528 46 | 297.1,1442 47 | 297,1472 48 | 296.9,1428 49 | 296.8,1482 50 | 296.7,1505 51 | 296.6,1514 52 | 296.5,1451 53 | 296.4,1446 54 | 296.3,1505 55 | 296.2,1559 56 | 296.1,1480 57 | 296,1456 58 | 295.9,1470 59 | 295.8,1516 60 | 295.7,1501 61 | 295.6,1502 62 | 295.5,1488 63 | 295.4,1472 64 | 295.3,1429 65 | 295.2,1490 66 | 295.1,1522 67 | 295,1471 68 | 294.9,1557 69 | 294.8,1521 70 | 294.7,1519 71 | 294.6,1517 72 | 294.5,1490 73 | 294.4,1466 74 | 294.3,1480 75 | 294.2,1549 76 | 294.1,1506 77 | 294,1518 78 | 293.9,1581 79 | 293.8,1556 80 | 293.7,1554 81 | 293.6,1582 82 | 293.5,1507 83 | 293.4,1546 84 | 293.3,1608 85 | 293.2,1545 86 | 293.1,1568 87 | 293,1670 88 | 292.9,1617 89 | 292.8,1654 90 | 292.7,1744 91 | 292.6,1668 92 | 292.5,1634 93 | 292.4,1731 94 | 292.3,1723 95 | 292.2,1702 96 | 292.1,1633 97 | 292,1769 98 | 291.9,1726 99 | 291.8,1759 100 | 291.7,1832 101 | 291.6,1776 102 | 291.5,1844 103 | 291.4,1774 104 | 291.3,1811 105 | 291.2,1783 106 | 291.1,1747 107 | 291,1788 108 | 290.9,1838 109 | 290.8,1806 110 | 290.7,1741 111 | 290.6,1767 112 | 290.5,1825 113 | 290.4,1799 114 | 290.3,1816 115 | 290.2,1871 116 | 290.1,1815 117 | 290,1827 118 | 289.9,1819 119 | 289.8,1804 120 | 289.7,1851 121 | 289.6,1923 122 | 289.5,1805 123 | 289.4,1866 124 | 289.3,1795 125 | 289.2,1804 126 | 289.1,1738 127 | 289,1781 128 | 288.9,1900 129 | 288.8,1917 130 | 288.7,1824 131 | 288.6,1777 132 | 288.5,1833 133 | 288.4,1883 134 | 288.3,1905 135 | 288.2,1914 136 | 288.1,2046 137 | 288,2002 138 | 287.9,2036 139 | 287.8,1982 140 | 287.7,2055 141 | 287.6,2179 142 | 287.5,2226 143 | 287.4,2155 144 | 287.3,2358 145 | 287.2,2320 146 | 287.1,2421 147 | 287,2577 148 | 286.9,2652 149 | 286.8,2719 150 | 286.7,2955 151 | 286.6,3057 152 | 286.5,3189 153 | 286.4,3539 154 | 286.3,3868 155 | 286.2,3949 156 | 286.1,4313 157 | 286,4787 158 | 285.9,5083 159 | 285.8,5523 160 | 285.7,5975 161 | 285.6,6442 162 | 285.5,6718 163 | 285.4,7355 164 | 285.3,7506 165 | 285.2,8321 166 | 285.1,8215 167 | 285,8573 168 | 284.9,8716 169 | 284.8,9046 170 | 284.7,9078 171 | 284.6,9359 172 | 284.5,9263 173 | 284.4,9098 174 | 284.3,8957 175 | 284.2,8626 176 | 284.1,7977 177 | 284,7626 178 | 283.9,7229 179 | 283.8,6722 180 | 283.7,6234 181 | 283.6,5610 182 | 283.5,5037 183 | 283.4,4521 184 | 283.3,4060 185 | 283.2,3693 186 | 283.1,3236 187 | 283,2803 188 | 282.9,2481 189 | 282.8,2196 190 | 282.7,1783 191 | 282.6,1660 192 | 282.5,1379 193 | 282.4,1259 194 | 282.3,1131 195 | 282.2,1010 196 | 282.1,959 197 | 282,888 198 | 281.9,852 199 | 281.8,764 200 | 281.7,723 201 | 281.6,769 202 | 281.5,652 203 | 281.4,642 204 | 281.3,622 205 | 281.2,583 206 | 281.1,567 207 | 281,617 208 | 280.9,564 209 | 280.8,543 210 | 280.7,526 211 | 280.6,483 212 | 280.5,489 213 | 280.4,496 214 | 280.3,476 215 | 280.2,508 216 | 280.1,469 217 | 280,470 218 | 279.9,457 219 | 279.8,447 220 | 279.7,435 221 | 279.6,439 222 | 279.5,444 223 | 279.4,436 224 | 279.3,467 225 | 279.2,442 226 | 279.1,449 227 | 279,456 228 | 278.9,408 229 | 278.8,427 230 | 278.7,446 231 | 278.6,389 232 | 278.5,432 233 | 278.4,426 234 | 278.3,456 235 | 278.2,429 236 | 278.1,448 237 | 278,451 238 | 277.9,400 239 | 277.8,427 240 | 277.7,445 241 | 277.6,425 242 | 277.5,436 243 | 277.4,415 244 | 277.3,407 245 | 277.2,441 246 | 277.1,461 247 | 277,445 248 | 276.9,464 249 | 276.8,454 250 | 276.7,418 251 | 276.6,412 252 | 276.5,377 253 | 276.4,444 254 | 276.3,395 255 | 276.2,451 256 | 276.1,438 257 | 276,387 258 | 275.9,381 259 | 275.8,382 260 | 275.7,424 261 | 275.6,399 262 | 275.5,460 263 | 275.4,426 264 | 275.3,409 265 | 275.2,413 266 | 275.1,431 267 | 275,389 268 | 274.9,357 269 | 274.8,413 270 | 274.7,382 271 | 274.6,416 272 | 274.5,394 273 | 274.4,380 274 | 274.3,426 275 | 274.2,422 276 | 274.1,442 277 | 274,432 278 | 273.9,389 279 | 273.8,419 280 | 273.7,441 281 | 273.6,414 282 | 273.5,393 283 | 273.4,404 284 | 273.3,410 285 | 273.2,406 286 | 273.1,429 287 | 273,393 288 | 272.9,419 289 | 272.8,427 290 | 272.7,438 291 | 272.6,409 292 | 272.5,426 293 | 272.4,382 294 | 272.3,403 295 | 272.2,414 296 | 272.1,394 297 | 272,396 298 | 271.9,417 299 | 271.8,421 300 | 271.7,411 301 | 271.6,429 302 | 271.5,400 303 | 271.4,379 304 | 271.3,453 305 | 271.2,405 306 | 271.1,407 307 | 271,408 308 | 270.9,414 309 | 270.8,424 310 | 270.7,423 311 | 270.6,408 312 | 270.5,416 313 | 270.4,453 314 | 270.3,426 315 | 270.2,395 316 | 270.1,434 317 | 270,399 318 | 269.9,382 319 | 269.8,384 320 | 269.7,417 321 | 269.6,388 322 | 269.5,426 323 | 269.4,394 324 | 269.3,438 325 | 269.2,404 326 | 269.1,418 327 | 269,404 328 | 268.9,407 329 | 268.8,387 330 | 268.7,398 331 | 268.6,413 332 | 268.5,410 333 | 268.4,369 334 | 268.3,426 335 | 268.2,426 336 | 268.1,421 337 | 268,389 338 | 267.9,436 339 | 267.8,377 340 | 267.7,394 341 | 267.6,401 342 | 267.5,425 343 | 267.4,392 344 | 267.3,378 345 | 267.2,418 346 | 267.1,439 347 | 267,409 348 | 266.9,412 349 | 266.8,418 350 | 266.7,384 351 | 266.6,428 352 | 266.5,393 353 | -------------------------------------------------------------------------------- /Python/xpspy.py: -------------------------------------------------------------------------------- 1 | #from numpy import amax, amin 2 | #make x and y lists (arrays) in the range between xmin and xmax 3 | 4 | def fit_range(x, y, xmin, xmax): 5 | #print(xmin, xmax) 6 | if xmin > xmax: 7 | xmin0 = xmin 8 | xmin = xmax 9 | xmax = xmin0 10 | 11 | if x[0] < x[-1]: 12 | # XAS in photon energy scale or XPS in kinetic energy scale 13 | if x[0] < xmin or xmax < x[len(x) - 1]: 14 | if xmax < x[len(x) - 1]: 15 | for i in range(len(x) - 1, -1, -1): 16 | if x[i] <= xmax: 17 | rmidx = i 18 | break 19 | else: 20 | rmidx = len(x) - 1 21 | 22 | if x[0] < xmin: 23 | for i in range(0, len(x) - 1): 24 | if x[i] >= xmin: 25 | lmidx = i 26 | break 27 | else: 28 | lmidx = 0 29 | 30 | xn = x[lmidx:rmidx+1].copy() 31 | yn = y[lmidx:rmidx+1].copy() 32 | #print(len(x), len(xn), xn[0], xn[len(xn)-1]) 33 | else: 34 | xn = x 35 | yn = y 36 | else: 37 | # XPS in binding energy scale 38 | if x[len(x) - 1] < xmin or xmax < x[0]: 39 | if xmax < x[0]: 40 | for i in range(0, len(x) - 1): 41 | if x[i] <= xmax: 42 | lmidx = i 43 | break 44 | else: 45 | lmidx = 0 46 | 47 | if x[len(x) - 1] < xmin: 48 | for i in range(len(x) - 1, -1, -1): 49 | if x[i] >= xmin: 50 | rmidx = i 51 | break 52 | else: 53 | rmidx = len(x) - 1 54 | 55 | xn = x[lmidx:rmidx+1].copy() 56 | yn = y[lmidx:rmidx+1].copy() 57 | #print(len(x), len(xn), xn[0], xn[len(xn)-1]) 58 | else: 59 | xn = x 60 | yn = y 61 | 62 | #return [array(xn), array(yn)] 63 | return [xn, yn] 64 | 65 | def shirley_calculate(x, y, tol=1e-5, maxit=10): 66 | # https://github.com/kaneod/physics/blob/master/python/specs.py 67 | 68 | # Make sure we've been passed arrays and not lists. 69 | #x = array(x) 70 | #y = array(y) 71 | 72 | # Sanity check: Do we actually have data to process here? 73 | #print(any(x), any(y), (any(x) and any(y))) 74 | if not (any(x) and any(y)): 75 | print("One of the arrays x or y is empty. Returning zero background.") 76 | return x * 0 77 | 78 | # Next ensure the energy values are *decreasing* in the array, 79 | # if not, reverse them. 80 | if x[0] < x[-1]: 81 | is_reversed = True 82 | x = x[::-1] 83 | y = y[::-1] 84 | else: 85 | is_reversed = False 86 | 87 | # Locate the biggest peak. 88 | maxidx = abs(y - y.max()).argmin() 89 | 90 | # It's possible that maxidx will be 0 or -1. If that is the case, 91 | # we can't use this algorithm, we return a zero background. 92 | if maxidx == 0 or maxidx >= len(y) - 1: 93 | print("Boundaries too high for algorithm: returning a zero background.") 94 | return x * 0 95 | 96 | # Locate the minima either side of maxidx. 97 | lmidx = abs(y[0:maxidx] - y[0:maxidx].min()).argmin() 98 | rmidx = abs(y[maxidx:] - y[maxidx:].min()).argmin() + maxidx 99 | 100 | xl = x[lmidx] 101 | yl = y[lmidx] 102 | xr = x[rmidx] 103 | yr = y[rmidx] 104 | 105 | # Max integration index 106 | imax = rmidx - 1 107 | 108 | # Initial value of the background shape B. The total background S = yr + B, 109 | # and B is equal to (yl - yr) below lmidx and initially zero above. 110 | B = y * 0 111 | B[:lmidx] = yl - yr 112 | Bnew = B.copy() 113 | 114 | it = 0 115 | while it < maxit: 116 | # Calculate new k = (yl - yr) / (int_(xl)^(xr) J(x') - yr - B(x') dx') 117 | ksum = 0.0 118 | for i in range(lmidx, imax): 119 | ksum += (x[i] - x[i + 1]) * 0.5 * (y[i] + y[i + 1] - 2 * yr - B[i] - B[i + 1]) 120 | k = (yl - yr) / ksum 121 | # Calculate new B 122 | for i in range(lmidx, rmidx): 123 | ysum = 0.0 124 | for j in range(i, imax): 125 | ysum += (x[j] - x[j + 1]) * 0.5 * (y[j] + y[j + 1] - 2 * yr - B[j] - B[j + 1]) 126 | Bnew[i] = k * ysum 127 | # If Bnew is close to B, exit. 128 | #if norm(Bnew - B) < tol: 129 | B = Bnew - B 130 | #print(it, (B**2).sum(), tol**2) 131 | if (B**2).sum() < tol**2: 132 | B = Bnew.copy() 133 | break 134 | else: 135 | B = Bnew.copy() 136 | it += 1 137 | 138 | if it >= maxit: 139 | print("Max iterations exceeded before convergence.") 140 | if is_reversed: 141 | #print("Shirley BG: tol (ini = ", tol, ") , iteration (max = ", maxit, "): ", it) 142 | return (yr + B)[::-1] 143 | else: 144 | #print("Shirley BG: tol (ini = ", tol, ") , iteration (max = ", maxit, "): ", it) 145 | return yr + B 146 | 147 | def tougaard_calculate(x, y, tb=2866, tc=1643, tcd = 1, td=1, maxit=100): 148 | # https://warwick.ac.uk/fac/sci/physics/research/condensedmatt/surface/people/james_mudd/igor/ 149 | 150 | # Sanity check: Do we actually have data to process here? 151 | if not (any(x) and any(y)): 152 | print("One of the arrays x or y is empty. Returning zero background.") 153 | return [x * 0, tb] 154 | 155 | # KE in XPS or PE in XAS 156 | if x[0] < x[-1]: 157 | is_reversed = True 158 | # BE in XPS 159 | else: 160 | is_reversed = False 161 | 162 | Btou = y * 0 163 | 164 | it = 0 165 | while it < maxit: 166 | if is_reversed == False: 167 | for i in range(len(y)-1, -1, -1): 168 | Bint = 0 169 | for j in range(len(y)-1, i-1, -1): 170 | Bint += (y[j] - y[len(y)-1]) * (x[0] - x[1]) * (x[i] - x[j]) / ((tc + tcd * (x[i] - x[j])**2)**2 + td * (x[i] - x[j])**2) 171 | Btou[i] = Bint * tb 172 | 173 | else: 174 | for i in range(len(y)-1, -1, -1): 175 | Bint = 0 176 | for j in range(len(y)-1, i-1, -1): 177 | Bint += (y[j] - y[len(y)-1]) * (x[1] - x[0]) * (x[j] - x[i]) / ((tc + tcd * (x[j] - x[i])**2)**2 + td * (x[j] - x[i])**2) 178 | Btou[i] = Bint * tb 179 | 180 | Boffset = Btou[0] - (y[0] - y[len(y)-1]) 181 | #print(Boffset, Btou[0], y[0], tb) 182 | if abs(Boffset) < (0.000001 * Btou[0]) or maxit == 1: 183 | break 184 | else: 185 | tb = tb - (Boffset/Btou[0]) * tb * 0.5 186 | it += 1 187 | 188 | print("Tougaard B:", tb, ", C:", tc, ", C':", tcd, ", D:", td) 189 | 190 | return [y[len(y) - 1] + Btou, tb] 191 | 192 | 193 | 194 | 195 | -------------------------------------------------------------------------------- /Example/CK.csv: -------------------------------------------------------------------------------- 1 | PE/eV,AbNorm_161116_1251_Is 2 | 270.7,0.073284424 3 | 270.9,0.074287282 4 | 271.1,0.074121154 5 | 271.3,0.074101587 6 | 271.5,0.073961066 7 | 271.7,0.073656783 8 | 271.9,0.073330533 9 | 272.1,0.073271737 10 | 272.3,0.072767593 11 | 272.5,0.072467659 12 | 272.7,0.072087586 13 | 272.9,0.071786966 14 | 273.1,0.07159501 15 | 273.3,0.0713546 16 | 273.5,0.071398306 17 | 273.7,0.071136537 18 | 273.9,0.071137799 19 | 274.1,0.071041964 20 | 274.3,0.070905965 21 | 274.5,0.070744408 22 | 274.7,0.070562291 23 | 274.9,0.070522061 24 | 275.1,0.070478778 25 | 275.3,0.070459829 26 | 275.5,0.07034724 27 | 275.7,0.070511505 28 | 275.9,0.07058147 29 | 276.1,0.070476979 30 | 276.3,0.070559632 31 | 276.5,0.070554815 32 | 276.7,0.070498357 33 | 276.9,0.070442951 34 | 277.1,0.070448796 35 | 277.3,0.070467042 36 | 277.5,0.07042279 37 | 277.7,0.070556932 38 | 277.9,0.070618373 39 | 278.1,0.07067512 40 | 278.3,0.070739564 41 | 278.5,0.071139384 42 | 278.7,0.071170924 43 | 278.9,0.071166977 44 | 279.1,0.071010552 45 | 279.3,0.071286048 46 | 279.5,0.071422077 47 | 279.7,0.071485657 48 | 279.9,0.071677773 49 | 280.1,0.072008648 50 | 280.3,0.072105835 51 | 280.5,0.072324219 52 | 280.7,0.072633065 53 | 280.9,0.072970787 54 | 281.1,0.073548827 55 | 281.3,0.073973293 56 | 281.5,0.074768957 57 | 281.7,0.075494986 58 | 281.9,0.076377993 59 | 282.1,0.077683613 60 | 282.3,0.079599034 61 | 282.5,0.082531254 62 | 282.7,0.08590411 63 | 282.9,0.0900969 64 | 283.1,0.094438139 65 | 283.3,0.101356305 66 | 283.5,0.113118431 67 | 283.7,0.132919413 68 | 283.9,0.157281457 69 | 284.1,0.215817122 70 | 284.3,0.269679529 71 | 284.5,0.311911166 72 | 284.7,0.348647879 73 | 284.9,0.382820941 74 | 285.1,0.385968381 75 | 285.3,0.356659991 76 | 285.5,0.295469734 77 | 285.7,0.251038859 78 | 285.9,0.233930877 79 | 286.1,0.234504526 80 | 286.3,0.237088952 81 | 286.5,0.239713459 82 | 286.7,0.253615923 83 | 286.9,0.27931298 84 | 287.1,0.291783824 85 | 287.3,0.293925045 86 | 287.5,0.299128291 87 | 287.7,0.303036753 88 | 287.9,0.308490201 89 | 288.1,0.317102543 90 | 288.3,0.328614425 91 | 288.5,0.345140564 92 | 288.7,0.354853746 93 | 288.9,0.348525812 94 | 289.1,0.342605852 95 | 289.3,0.338262907 96 | 289.5,0.334025417 97 | 289.7,0.328995798 98 | 289.9,0.323462858 99 | 290.1,0.317271983 100 | 290.3,0.31397887 101 | 290.5,0.313732599 102 | 290.7,0.318315695 103 | 290.9,0.321728216 104 | 291.1,0.327798161 105 | 291.3,0.338298035 106 | 291.5,0.35219694 107 | 291.7,0.375507408 108 | 291.9,0.391323915 109 | 292.1,0.404872192 110 | 292.3,0.416320418 111 | 292.5,0.426081346 112 | 292.7,0.429876702 113 | 292.9,0.431677795 114 | 293.1,0.434733764 115 | 293.3,0.437673862 116 | 293.5,0.440386485 117 | 293.7,0.441040024 118 | 293.9,0.440978306 119 | 294.1,0.441572673 120 | 294.3,0.44331266 121 | 294.5,0.446266058 122 | 294.7,0.447392584 123 | 294.9,0.44851131 124 | 295.1,0.450069974 125 | 295.3,0.452750602 126 | 295.5,0.452575534 127 | 295.7,0.454095652 128 | 295.9,0.455108705 129 | 296.1,0.455972843 130 | 296.3,0.45666991 131 | 296.5,0.457031186 132 | 296.7,0.458367072 133 | 296.9,0.458481837 134 | 297.1,0.459120326 135 | 297.3,0.459162529 136 | 297.5,0.46028455 137 | 297.7,0.461298353 138 | 297.9,0.461149515 139 | 298.1,0.462202162 140 | 298.3,0.462135108 141 | 298.5,0.461932826 142 | 298.7,0.461746828 143 | 298.9,0.461377776 144 | 299.1,0.46178416 145 | 299.3,0.461022112 146 | 299.5,0.460639893 147 | 299.7,0.458983298 148 | 299.9,0.458255055 149 | 300.1,0.457892154 150 | 300.3,0.457560607 151 | 300.5,0.457335567 152 | 300.7,0.456581947 153 | 300.9,0.456500222 154 | 301.1,0.455520517 155 | 301.3,0.454221455 156 | 301.5,0.452818443 157 | 301.7,0.451519356 158 | 301.9,0.450207268 159 | 302.1,0.450217395 160 | 302.3,0.448496588 161 | 302.5,0.446686481 162 | 302.7,0.444756243 163 | 302.9,0.443437548 164 | 303.1,0.442150368 165 | 303.3,0.440130872 166 | 303.5,0.439177908 167 | 303.7,0.43707803 168 | 303.9,0.434861336 169 | 304.1,0.433904716 170 | 304.3,0.431489344 171 | 304.5,0.429826975 172 | 304.7,0.427063422 173 | 304.9,0.424738377 174 | 305.1,0.422442327 175 | 305.3,0.42119273 176 | 305.5,0.418912882 177 | 305.7,0.416682452 178 | 305.9,0.41513562 179 | 306.1,0.412318136 180 | 306.3,0.410681151 181 | 306.5,0.407574281 182 | 306.7,0.406288044 183 | 306.9,0.404429694 184 | 307.1,0.402689782 185 | 307.3,0.400560518 186 | 307.5,0.398509335 187 | 307.7,0.396105471 188 | 307.9,0.395271674 189 | 308.1,0.392809073 190 | 308.3,0.390821086 191 | 308.5,0.388774887 192 | 308.7,0.387419461 193 | 308.9,0.386170013 194 | 309.1,0.383715834 195 | 309.3,0.382188692 196 | 309.5,0.380806629 197 | 309.7,0.379346346 198 | 309.9,0.37733419 199 | 310.1,0.376494036 200 | 310.3,0.374845074 201 | 310.5,0.37396568 202 | 310.7,0.372129741 203 | 310.9,0.37096589 204 | 311.1,0.369303741 205 | 311.3,0.368188628 206 | 311.5,0.367564278 207 | 311.7,0.366054471 208 | 311.9,0.365312489 209 | 312.1,0.364350079 210 | 312.3,0.36357398 211 | 312.5,0.362285391 212 | 312.7,0.361809227 213 | 312.9,0.36168177 214 | 313.1,0.360428211 215 | 313.3,0.359929234 216 | 313.5,0.358566711 217 | 313.7,0.358215981 218 | 313.9,0.357730495 219 | 314.1,0.356872667 220 | 314.3,0.35698283 221 | 314.5,0.356291986 222 | 314.7,0.355361424 223 | 314.9,0.354506654 224 | 315.1,0.35442684 225 | 315.3,0.353793056 226 | 315.5,0.353791867 227 | 315.7,0.352909897 228 | 315.9,0.352369673 229 | 316.1,0.352541584 230 | 316.3,0.351741267 231 | 316.5,0.351090085 232 | 316.7,0.351214033 233 | 316.9,0.35099323 234 | 317.1,0.349927191 235 | 317.3,0.350143482 236 | 317.5,0.349506407 237 | 317.7,0.349385008 238 | 317.9,0.349546099 239 | 318.1,0.348856298 240 | 318.3,0.348850722 241 | 318.5,0.349056387 242 | 318.7,0.348481393 243 | 318.9,0.348541253 244 | 319.1,0.348283755 245 | 319.3,0.348282986 246 | 319.5,0.348419899 247 | 319.7,0.347468235 248 | 319.9,0.347760807 249 | 320.1,0.347352077 250 | 320.3,0.347304783 251 | 320.5,0.347370455 252 | 320.7,0.347111019 -------------------------------------------------------------------------------- /Example/111126_0100.csv: -------------------------------------------------------------------------------- 1 | KE/eV,PE: 600 eV 2 | 26,220.730699118004 3 | 28,215.438199139151 4 | 30,195.059799220579 5 | 32,172.341699311357 6 | 34,154.071999384359 7 | 36,142.804299429382 8 | 38,130.901099476945 9 | 40,124.831799501197 10 | 42,113.677899545766 11 | 44,106.917599572778 12 | 46,100.488299598469 13 | 48,94.7597496213587 14 | 50,90.1566896397516 15 | 52,87.1646596517072 16 | 54,82.1804496716231 17 | 56,76.3535696949062 18 | 58,73.0156397082439 19 | 60,69.2268397233832 20 | 62,67.1652397316209 21 | 64,70.4268597185882 22 | 66,81.2864996751952 23 | 68,73.5088597062731 24 | 70,59.3677097627783 25 | 72,56.6635697735835 26 | 74,56.514559774179 27 | 76,55.5675097779632 28 | 78,53.8533197848128 29 | 80,52.3670797907515 30 | 82,50.600849797809 31 | 84,51.4313297944905 32 | 86,50.7689197971374 33 | 88,49.3455998028247 34 | 90,48.5658698059404 35 | 92,47.3165798109323 36 | 94,49.5658898019445 37 | 96,47.5440398100234 38 | 98,47.7859698090567 39 | 100,47.9839598082656 40 | 102,51.5094497941784 41 | 104,48.8225698049146 42 | 106,45.4588398183554 43 | 108,44.0816098238586 44 | 110,52.6484397896272 45 | 112,51.5985997938222 46 | 114,44.6709698215036 47 | 116,45.2224398193 48 | 118,44.9528898203771 49 | 120,44.9829698202569 50 | 122,45.8996998165939 51 | 124,44.5763698218816 52 | 126,45.9308698164693 53 | 128,43.8756298246816 54 | 130,45.8656598167299 55 | 132,45.8688598167171 56 | 134,46.3219898149065 57 | 136,45.6813398174664 58 | 138,43.2753298270803 59 | 140,44.5418698220195 60 | 142,44.9809098202652 61 | 144,69.3387997229358 62 | 146,70.4539097184801 63 | 148,39.9207998404844 64 | 150,41.8016798329687 65 | 152,92.0456596322037 66 | 154,62.9950797482841 67 | 156,34.8398398607869 68 | 158,34.2654398630821 69 | 160,31.8627598726827 70 | 162,32.7418998691698 71 | 164,33.668069865469 72 | 166,33.5498198659415 73 | 168,33.7181998652687 74 | 170,33.7534798651278 75 | 172,33.0592998679016 76 | 174,33.5490098659448 77 | 176,33.9780498642304 78 | 178,33.0865198677928 79 | 180,35.4701698582682 80 | 182,34.1556798635206 81 | 184,34.2698898630643 82 | 186,34.1590598635071 83 | 188,33.3984798665463 84 | 190,33.3097298669009 85 | 192,35.298549858954 86 | 194,33.5247898660416 87 | 196,33.4701898662597 88 | 198,34.717679861275 89 | 200,34.0128498640914 90 | 202,33.346229866755 91 | 204,33.614279865684 92 | 206,32.5524798699267 93 | 208,33.9660398642784 94 | 210,33.5258998660371 95 | 212,34.8272498608372 96 | 214,33.5507398659379 97 | 216,35.1863098594024 98 | 218,34.5883598617917 99 | 220,34.0786798638283 100 | 222,34.1553598635219 101 | 224,34.3178898628725 102 | 226,34.0806198638206 103 | 228,35.2308698592244 104 | 230,34.8705398606642 105 | 232,35.3066398589216 106 | 234,35.9613398563056 107 | 236,35.1494698595496 108 | 238,35.0681998598744 109 | 240,34.7897398609871 110 | 242,35.3824098586189 111 | 244,34.9534998603327 112 | 246,36.6851998534132 113 | 248,35.9399198563912 114 | 250,37.0251798520547 115 | 252,34.427129862436 116 | 254,37.7945098489806 117 | 256,37.1606698515133 118 | 258,38.1795298474421 119 | 260,37.7758398490552 120 | 262,36.8635198527006 121 | 264,36.1100698557113 122 | 266,34.448899862349 123 | 268,33.7372198651927 124 | 270,31.8166198728671 125 | 272,31.7542498731163 126 | 274,29.2876698829722 127 | 276,30.1453198795452 128 | 278,28.5165498860535 129 | 280,28.7162598852555 130 | 282,29.0802298838011 131 | 284,28.8672398846522 132 | 286,28.7092698852834 133 | 288,29.7250898812244 134 | 290,28.8850898845809 135 | 292,30.1911598793621 136 | 294,29.2647698830637 137 | 296,28.9856198841792 138 | 298,26.4773598942017 139 | 300,26.8573498926833 140 | 302,27.2235098912202 141 | 304,26.0627898958582 142 | 306,25.8019998969003 143 | 308,26.9075198924829 144 | 310,29.7794598810071 145 | 312,43.7946798250051 146 | 314,30.638409877575 147 | 316,24.867849900633 148 | 318,23.852769904689 149 | 320,24.8510599007001 150 | 322,24.8133499008507 151 | 324,25.9137198964539 152 | 326,24.8804099005828 153 | 328,26.5411798939467 154 | 330,26.8063998928869 155 | 332,25.7629598970563 156 | 334,25.5872198977585 157 | 336,26.1221398956211 158 | 338,25.6867498973608 159 | 340,26.1765198954038 160 | 342,25.6112098976627 161 | 344,26.4231098944185 162 | 346,23.7588599050643 163 | 348,24.2304899031797 164 | 350,24.3607799026591 165 | 352,23.9595799042622 166 | 354,22.6734699094013 167 | 356,23.0727299078059 168 | 358,22.4994299100967 169 | 360,24.0101099040603 170 | 362,22.5130699100422 171 | 364,23.8213899048144 172 | 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-------------------------------------------------------------------------------- 1 | BE/eV,InPET_C1s 2 | 299.300817131996,324.2826 3 | 299.250817131996,352.4358 4 | 299.200817131996,342.0087 5 | 299.150817131996,342.0087 6 | 299.100817131996,326.368 7 | 299.050817131996,356.6066 8 | 299.000817131996,344.0941 9 | 298.950817131996,332.6243 10 | 298.900817131996,332.6243 11 | 298.850817131996,329.4962 12 | 298.800817131996,339.9232 13 | 298.750817131996,328.4535 14 | 298.700817131996,304.4711 15 | 298.650817131996,326.368 16 | 298.600817131996,338.8806 17 | 298.550817131996,328.4535 18 | 298.500817131996,312.8128 19 | 298.450817131996,322.1972 20 | 298.400817131996,321.1545 21 | 298.350817131996,335.7524 22 | 298.300817131996,293.0013 23 | 298.250817131996,306.5565 24 | 298.200817131996,305.5139 25 | 298.150817131996,315.9409 26 | 298.100817131996,311.7701 27 | 298.050817131996,276.318 28 | 298.000817131996,297.1722 29 | 297.950817131996,296.1295 30 | 297.900817131996,250.2503 31 | 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-------------------------------------------------------------------------------- /Python/vamas.py: -------------------------------------------------------------------------------- 1 | ################################################################################ 2 | # 3 | # vamas.py 4 | # 5 | # Provides a python VAMAS object for use by other apps. 6 | # 7 | ################################################################################ 8 | # 9 | # Copyright 2014 Kane O'Donnell 10 | # 11 | # This library is free software: you can redistribute it and/or modify 12 | # it under the terms of the GNU General Public License as published by 13 | # the Free Software Foundation, either version 3 of the License, or 14 | # (at your option) any later version. 15 | # 16 | # This library is distributed in the hope that it will be useful, 17 | # but WITHOUT ANY WARRANTY; without even the implied warranty of 18 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 19 | # GNU General Public License for more details. 20 | # 21 | # You should have received a copy of the GNU General Public License 22 | # along with this library. If not, see . 23 | # 24 | ################################################################################ 25 | # 26 | # NOTES 27 | # 28 | # 1. Yes, a lot of this stuff could have been made easier with NumPy. I've tried 29 | # to avoid it so people can use this code with stock python. 30 | # 31 | # 2. We implicitly assume here that any kinetic scale is given with respect to 32 | # the Fermi level, not the vacuum level at the spectrometer. 33 | # 34 | ################################################################################ 35 | # 36 | # Copyright 2021 Hideki NAKAJIMA 37 | # 38 | # Revised Kane's code based on the practical usage on irregular vamas format. 39 | # 40 | ################################################################################ 41 | 42 | from __future__ import division 43 | 44 | class VAMAS: 45 | 46 | def __init__(self, filename): 47 | ''' Can only init by providing a VAMAS file. ''' 48 | 49 | f = open(filename) 50 | if f: 51 | lines = f.readlines() 52 | f.close() 53 | self.LoadFromText(lines) 54 | else: 55 | print('Error (vamas.py, VAMAS.__init__): File %s failed to open.') 56 | 57 | def LoadFromText(self, lines): 58 | ''' Reads VAMAS text. Format taken from Dench et al, Surf. Interface Anal. 13 (1988) p 63.''' 59 | 60 | content = iter(lines) 61 | 62 | # First read content of the header. 63 | 64 | self.header = VAMASHeader(content) 65 | 66 | # Now grab all the blocks 67 | 68 | self.blocks = [] 69 | for i in range(self.header.num_blocks): 70 | self.blocks.append(VAMASBlock(self.header, content)) # Block is an object 71 | 72 | # Should now get the experiment terminator: check. 73 | 74 | check_line = next(content).strip() 75 | if check_line != 'end of experiment': 76 | print('Warning (VAMAS.py, VAMAS::LoadFromText): Failed to find experiment terminator in expected place. VAMAS file may be corrupt.') 77 | 78 | class VAMASHeader: 79 | 80 | def __init__(self, content): 81 | ''' Parameter 'content' should be an iterator containing lines of text. ''' 82 | 83 | self.LoadFromIterator(content) 84 | 85 | def LoadFromIterator(self, content): 86 | # remove lending blank lines 87 | i =0 88 | while i < 10 : 89 | self.format = next(content).strip() 90 | if self.format != '': 91 | break 92 | else: 93 | i += 1 94 | #print('Blank lines: '+ str(i)) 95 | #self.format = next(content).strip() 96 | self.institution = next(content).strip() 97 | self.instrument = next(content).strip() 98 | self.operator = next(content).strip() 99 | self.experiment = next(content).strip() 100 | 101 | counter = int(next(content)) # number of comment lines 102 | self.comments = [] 103 | for i in range(counter): 104 | self.comments.append(next(content).strip()) 105 | 106 | self.experiment_mode = next(content).strip() 107 | self.scan_mode = next(content).strip() 108 | 109 | if self.experiment_mode in ['MAP', 'MAPDP', 'NORM', 'SDP']: 110 | self.num_spectral_regions = int(next(content)) 111 | else: 112 | self.num_spectral_regions = None 113 | 114 | if self.experiment_mode in ['MAP', 'MAPDP']: 115 | self.num_analysis_positions = int(next(content)) 116 | self.num_x_coords = int(next(content)) 117 | self.num_y_coords = int(next(content)) 118 | else: 119 | self.num_analysis_positions = None 120 | self.num_x_coords = None 121 | self.num_y_coords = None 122 | 123 | counter = int(next(content)) # Number of experimental variables 124 | self.experimental_variable_names = [] 125 | self.experimental_variable_units = [] 126 | for i in range(counter): 127 | self.experimental_variable_names.append(next(content).strip()) 128 | self.experimental_variable_units.append(next(content).strip()) 129 | 130 | counter = int(next(content)) # Number of parameters on the inclusion 131 | # or exclusion list 132 | self.param_inclusion_exclusion_list = [] 133 | for i in range(counter): 134 | self.param_inclusion_exclusion_list.append(next(content).strip()) 135 | 136 | counter = int(next(content)) # Number of manually entered items in block 137 | self.manually_entered_items_list = [] 138 | for i in range(counter): 139 | self.manually_entered_items_list.append(next(content).strip()) 140 | 141 | counter = int(next(content)) # Number of future upgrade experiment entries 142 | self.num_future_upgrade_block_entries = int(next(content)) # Same for future upgrade blocks - use this later. 143 | 144 | self.future_upgrade_experiment_entries = [] 145 | for i in range(counter): 146 | self.future_upgrade_experiment_entries.append(next(content).strip()) 147 | 148 | self.num_blocks = int(next(content)) 149 | 150 | class VAMASBlock: 151 | 152 | def __init__(self, header, content): 153 | ''' Parameter 'header' should be an initialized VAMASHeader object. 154 | Parameter 'content' should be an iterator containing lines of text. ''' 155 | 156 | self.LoadFromIterator(header, content) 157 | if header.scan_mode == 'REGULAR': 158 | self.MakeAxes() 159 | self.ReorderOrdinates() 160 | 161 | def LoadFromIterator(self, header, content): 162 | 163 | self.header = header # So we always have a link back to the header data. 164 | self.name = next(content).strip() 165 | self.sample = next(content).strip() 166 | self.year = int(next(content)) 167 | self.month = int(next(content)) 168 | self.day = int(next(content)) 169 | self.hours = int(next(content)) 170 | self.minutes = int(next(content)) 171 | self.seconds = int(next(content)) 172 | self.GMT_offset = int(next(content)) 173 | 174 | counter = int(next(content)) # Number of lines in block comment 175 | 176 | self.comments = [] 177 | for i in range(counter): 178 | self.comments.append(next(content).strip()) 179 | # checking validation of technique position after comment lines 180 | i =0 181 | while i < 10: 182 | self.technique = next(content).strip() 183 | if self.technique in ['AES diff', 'AES dir', 'EDX', 'ELS', 'FABMS', 'FABMS energy spec', 'ISS', 'SIMS', 'SIMS energy spec', 'SNMS', 'SNMS energy spec', 'UPS', 'XPS', 'XRF']: 184 | break 185 | else: 186 | i += 1 187 | #print('Extra comment lines: ' + str(i)) 188 | if header.experiment_mode in ['MAP', 'MAPDP']: 189 | self.x_coord = float(next(content)) 190 | self.y_coord = float(next(content)) 191 | 192 | self.experimental_variables = [] 193 | 194 | for i in range(len(header.experimental_variable_names)): 195 | self.experimental_variables.append(float(next(content))) 196 | 197 | self.analysis_source = next(content).strip() 198 | 199 | if (header.experiment_mode in ['MAPDP', 'MADSVDP', 'SDP', 'SDPSV']) or self.technique in ['FABMS', 'FABMS energy spec', 'ISS', 'SIMS', 'SIMS energy spec', 'SNMS', 'SNMS energy spec']: 200 | self.sputtering_species_atomic_number = int(next(content)) 201 | self.num_atoms_in_sputtering_particle = int(next(content)) 202 | self.sputtering_species_charge = int(next(content)) 203 | 204 | self.source_energy = float(next(content)) 205 | self.source_strength = float(next(content)) 206 | self.beam_width_x = float(next(content)) 207 | self.beam_width_y = float(next(content)) 208 | 209 | if header.experiment_mode in ['MAP', 'MAPDP', 'MAPSV', 'MAPSVDP', 'SEM']: 210 | self.field_of_view_x = float(next(content)) 211 | self.field_of_view_y = float(next(content)) 212 | 213 | if header.experiment_mode in ['MAPSV', 'MAPSVDP', 'SEM']: 214 | self.first_linescan_start_x = int(next(content)) 215 | self.first_linescan_start_y = int(next(content)) 216 | self.first_linescan_finish_x = int(next(content)) 217 | self.first_linescan_finish_y = int(next(content)) 218 | self.last_linescan_finish_x = int(next(content)) 219 | self.last_linescan_finish_y = int(next(content)) 220 | 221 | self.source_polar_angle = float(next(content)) 222 | self.source_azimuth = float(next(content)) 223 | self.analyser_mode = next(content).strip() 224 | self.analyser_pass_energy = float(next(content)) 225 | 226 | if self.technique == 'AES diff': 227 | self.differential_width = float(next(content)) 228 | 229 | self.analyser_mag = float(next(content)) 230 | # Note: the next parameter is the workfunction for AES, EELS, ISS, UPS and XPS. It is the energy filter pass energy for FABMS, SIMS and SNMS. 231 | self.analyser_work_function = float(next(content)) 232 | # R4000 vms has 1e+037 of WF. 233 | if self.analyser_work_function == 1e+037: 234 | self.analyser_work_function = 0 235 | self.target_bias = float(next(content)) 236 | # Note: the following two parameters are called analysis widths but vary depending on the technique - see the original paper. 237 | self.analysis_width_x = float(next(content)) 238 | self.analysis_width_y = float(next(content)) 239 | self.analyser_polar_angle = float(next(content)) 240 | self.analyser_azimuth = float(next(content)) 241 | self.species = next(content).strip() 242 | # Note: next parameter is transition for e.g. XPS and AES and charge state for e.g. SIMS. 243 | self.transition = next(content).strip() 244 | self.charge_of_detected_particle = int(next(content)) 245 | 246 | if header.scan_mode == 'REGULAR': 247 | self.abscissa_label = next(content).strip() 248 | self.abscissa_units = next(content).strip() 249 | self.abscissa_start = float(next(content)) 250 | self.abscissa_increment = float(next(content)) 251 | 252 | self.num_corresponding_variables = int(next(content)) 253 | 254 | self.corresponding_variable_labels = [] 255 | self.corresponding_variable_units = [] 256 | for i in range(self.num_corresponding_variables): 257 | self.corresponding_variable_labels.append(next(content).strip()) 258 | self.corresponding_variable_units.append(next(content).strip()) 259 | 260 | self.signal_mode = next(content).strip() 261 | self.signal_collection_time = float(next(content)) 262 | self.num_scans = int(next(content)) 263 | self.signal_time_correction = float(next(content)) 264 | 265 | if (self.technique in ['AES diff', 'AES dir', 'EDX', 'ELS', 'UPS', 'XPS', 'XRF']) and header.experiment_mode in ['MAPDP', 'MAPSVDP', 'SDP', 'SDPSV']: 266 | self.sputter_source_energy = float(next(content)) 267 | self.sputter_beam_current = float(next(content)) 268 | self.sputter_source_width_x = float(next(content)) 269 | self.sputter_source_width_y = float(next(content)) 270 | self.sputter_polar_angle = float(next(content)) 271 | self.sputter_azimuth = float(next(content)) 272 | self.sputter_mode = next(content).strip() 273 | 274 | self.sample_normal_tilt_polar_angle = float(next(content)) 275 | self.sample_normal_tilt_azimuth = float(next(content)) 276 | self.sample_rotation_angle = float(next(content)) 277 | 278 | counter = int(next(content)) 279 | self.additional_param_labels = [] 280 | self.additional_param_units = [] 281 | self.additional_param_values = [] 282 | for i in range(counter): 283 | self.additional_param_labels.append(next(content).strip()) 284 | self.additional_param_units.append(next(content).strip()) 285 | self.additional_param_values.append(float(next(content))) 286 | 287 | self.future_upgrade_block_entries = [] 288 | for i in range(header.num_future_upgrade_block_entries): 289 | self.future_upgrade_block_entries.append(next(content).strip()) 290 | 291 | self.num_ordinate_values = int(next(content)) 292 | 293 | self.minimum_ordinate_values = [] 294 | self.maximum_ordinate_values = [] 295 | for i in range(self.num_corresponding_variables): 296 | self.minimum_ordinate_values.append(float(next(content))) 297 | self.maximum_ordinate_values.append(float(next(content))) 298 | 299 | # The ordinates are next (FINALLY!). Just read them as a list and process later. 300 | 301 | self.ordinates = [] 302 | for i in range(self.num_ordinate_values): 303 | self.ordinates.append(float(next(content))) 304 | 305 | def MakeAxes(self): 306 | ''' Uses the abscissa data to construct binding energy and kinetic energy labels ''' 307 | 308 | # So, the VAMAS file provides the number of ordinate values which is a multiple of the number of corresponding variables with number of ordinates for each variable. 309 | # We also have the abscissa start and the increment. We can use this to generate a generic energy axis. 310 | # On top of that, we can use the abscissa label to guess whether the abscissa is kinetic or binding (for electron spectroscopy) and then generate the other one using the photon energy and work function. 311 | 312 | # Note we have __future__ division here but we're explicitly casting just in 313 | # case someone messes with the source code. Int division paranoia! 314 | num_ords = int(float(self.num_ordinate_values) / float(self.num_corresponding_variables)) 315 | 316 | self.axis = [] 317 | for i in range(num_ords): 318 | self.axis.append(self.abscissa_start + i * self.abscissa_increment) 319 | 320 | # Now, is the word kinetic in the label? 321 | if 'kinetic' in self.abscissa_label.lower(): 322 | self.kinetic_axis = [] 323 | self.binding_axis = [] 324 | for i in range(num_ords): 325 | self.kinetic_axis.append(self.abscissa_start + i * self.abscissa_increment) 326 | self.binding_axis.append(-1 * (self.analyser_work_function) -1 * (self.abscissa_start + i * self.abscissa_increment) + self.source_energy) 327 | elif 'binding' in self.abscissa_label.lower(): 328 | self.kinetic_axis = [] 329 | self.binding_axis = [] 330 | for i in range(num_ords): 331 | self.binding_axis.append(self.abscissa_start + i * self.abscissa_increment) 332 | self.kinetic_axis.append(-1 * (self.analyser_work_function) -1 * (self.abscissa_start + i * self.abscissa_increment) + self.source_energy) 333 | 334 | # As a last item, calculate the dwell time per set of corresponding variables. 335 | self.dwell_time = float(num_ords) / self.signal_collection_time 336 | 337 | def ReorderOrdinates(self): 338 | ''' Creates a list of lists by reordering the ordinate values. In the VAMAS file if there are N corresponding variables, the ordinates are listed as 1_1, .... 1_N, 2_1, .... , 2_N, etc where for each abscissa value all the corresponding values are listed in sequence. ReorderOrdinates creates a list [[1_1, 2_1, ...], ... , [1_N, 2_N, ...]], i.e. a list each for all the corresponding variables. ''' 339 | 340 | num_ords = int(float(self.num_ordinate_values) / float(self.num_corresponding_variables)) 341 | 342 | self.data = [] 343 | 344 | for i in range(self.num_corresponding_variables): 345 | tmp = [] 346 | for j in range(i, self.num_ordinate_values, self.num_corresponding_variables): 347 | tmp.append(self.ordinates[j]) 348 | self.data.append(tmp) 349 | 350 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | 2 | 3 | # LG4X: lmfit GUI for XPS 4 | 5 | ## Preface 6 | The extended version (LG4X-V2) is available from [here](https://github.com/Julian-Hochhaus/LG4X-V2) upgraded by [Julian Hochhaus](https://github.com/Julian-Hochhaus/). 7 | Furthermore, the advanced version (LG4X-V3) is available from [binary](https://khervefitting.sourceforge.io/) or [github](https://github.com/KherveFitting/KherveFitting/) developed by [Gwilherm Kerherve](https://www.linkedin.com/in/gwilherm-kerherve-3588b978/). 8 | After the WFH period under the covid situation, I have no time to develop further this code (28 Mar. 2023). 9 | 10 | 11 | ## Introduction 12 | 13 | **LG4X** provides a graphical user interface for [XPS](https://en.wikipedia.org/wiki/X-ray_photoelectron_spectroscopy) curve fitting analysis based on the [lmfit](https://pypi.org/project/lmfit/) package, which is the non-linear least-square minimization method on python platform. **LG4X** facilitates the curve fitting analysis for python beginners. **LG4X** was developed on [Python 3](https://www.python.org/), and [PyQt5](https://pypi.org/project/PyQt5/) was used for its graphical interface design. [Shirley](https://doi.org/10.1103/PhysRevB.5.4709) and [Tougaard](https://doi.org/10.1002/sia.740110902) iterated methods are implemented as a supplementary code for XPS background subtraction. **LG4X** tidies up all fitting parameters with their bound conditions in table forms. Fitting parameters can be imported and exported as a preset file before and after analysis to streamline the fitting procedures. Fitting results are also exported as a text for parameters and csv file for spectral data. In addition, **LG4X** simulates the curve without importing data and evaluates the initial parameters over the data plot prior to optimization. 14 | 15 | 16 | ## Methods 17 | ### Installation 18 | 19 | Install [Python 3](https://www.python.org/) or [brew](https://brew.sh/), and [pip](https://pip.pypa.io/en/stable/installation/) additional packages. 20 | ``` 21 | brew install python3 22 | pip3 install lmfit 23 | pip3 install pandas 24 | pip3 install matplotlib 25 | pip3 install PyQt5 26 | ``` 27 | The OS dependence of installation of python, pip, and brew is described in the [link](https://appdividend.com/2020/04/22/how-to-upgrade-pip-in-mac-update-pip-on-windows-and-linux/). 28 | 29 | #### Update package if necessary 30 | 31 | ``` 32 | pip3 install --upgrade lmfit 33 | ``` 34 | 35 | #### Miniconda3 36 | 37 | If you have Miniconda3, you can create the environment to install lmfit from [conda-forge](https://github.com/conda-forge/lmfit-feedstock). Below is an example for environment name *vpy3.9* on python version 3.9 ([YouTube video](https://youtu.be/cEbo6ZHlK-U)). 38 | 39 | ``` 40 | conda config --add channels conda-forge 41 | conda config --set channel_priority strict 42 | conda create -n vpy3.9 python=3.9 43 | conda activate vpy3.9 44 | conda install lmfit 45 | conda install matplotlib 46 | conda install pandas 47 | python main.python 48 | ``` 49 | 50 | 51 | #### Supplementary codes for XPS analysis 52 | 53 | [xpspy.py](https://github.com/heitler/LG4X/blob/master/Python/xpspy.py) should be located in the same directory as [main.py](https://github.com/heitler/LG4X/blob/master/Python/main.py) for XPS energy range selection for background (BG) subtraction in Shirley and Tougaard methods, which are taken from codes by [Kane O'Donnell](https://github.com/kaneod/physics/blob/master/python/specs.py) and [James Mudd](https://warwick.ac.uk/fac/sci/physics/research/condensedmatt/surface/people/james_mudd/igor/). 54 | 55 | [vamas.py](https://github.com/heitler/LG4X/blob/master/Python/vamas.py) and [vamas_export.py](https://github.com/heitler/LG4X/blob/master/Python/vamas_export.py) are also necessary for importing ISO [VAMAS](https://doi.org/10.1002/sia.740130202) format file. vamas.py is a modifed class of VAMAS format from [Kane O'Donnell](https://github.com/kaneod/physics/blob/master/python/vamas.py). 56 | 57 | [periodictable.py](https://github.com/heitler/LG4X/blob/master/Python/periodictable.py) and [periodictableui.py](https://github.com/heitler/LG4X/blob/master/Python/periodictableui.py) are the periodic table window to identify the peak elements. The codes are based on and revised from [clusterid](https://github.com/BrendanSweeny/clusterid). 58 | 59 | [elements.py](https://github.com/heitler/LG4X/blob/master/Python/elements.py) and [elementdata.py](https://github.com/heitler/LG4X/blob/master/Python/elementdata.py) are the class for peak energy and sensitivity used in the priodic table above. The codes are based on and revised from [clusterid](https://github.com/BrendanSweeny/clusterid). 60 | 61 | ### Start LG4X 62 | 63 | ``` 64 | python3 main.py 65 | ``` 66 | 67 | #### Testing and developing environment 68 | 69 | * Python 3.9.5 70 | * asteval==0.9.31 71 | * lmfit==1.2.2 72 | * matplotlib==3.5.3 73 | * numpy==1.21.6 74 | * pandas==1.3.5 75 | * PyQt5==5.15.2 76 | * scipy==1.7.3 77 | * uncertainties==3.1.6 78 | 79 | ### Usage 80 | 81 | 1. Import data 82 | - Import csv, text, or vamas (.vms/.npl) file format. 83 | - All csv and text files in a directory. 84 | - Choose data from file list if it was already imported. 85 | 1. Setup background and peak parameters with their types 86 | - Select energy range of spectrum for optimization. 87 | - Setup initial BG parameters including polynomial coefficients. 88 | - Setup peak model and its parameters. 89 | - Increase and decrease the number of peaks. 90 | - Load a preset file if available. 91 | 1. Evaluate parameters 92 | - Plot the curves without optimization. 93 | - Simulate the curves based on the range and peaks if no data file is selected in the File list. 94 | 1. Fit curve 95 | - Adjust parameters and bounds until they become converged 96 | 1. Export results 97 | - Export csv file for curves 98 | - Export text file for parameters 99 | - Save parameters as a preset for next analysis 100 | 101 | #### Home directory to import data 102 | 103 | You can change the HOME directory in the main.py edited in a way below. `#` makes a line comment out. 104 | 105 | ``` 106 | # Home directory 107 | self.filePath = QtCore.QDir.homePath() 108 | # self.filePath = '/Users/hidekinakajima/Desktop/WFH2021_2/lg4x/LG4X-master/Python/' 109 | ``` 110 | 111 | 112 | ## Citing 113 | 114 | [https://doi.org/10.5281/zenodo.3901523](https://doi.org/10.5281/zenodo.3901523) 115 | 116 | ## Video 117 | 118 | [YouTube: Introduction of LG4X](https://youtu.be/cDXXXBfWU1w) 119 | 120 | [YouTube: Installation of LG4X in miniconda3 environment](https://youtu.be/cEbo6ZHlK-U) 121 | 122 | 123 | ## Database reference 124 | X-ray data booklet for binding energy 125 | - http://xdb.lbl.gov/ 126 | 127 | "Hartree-Slater subshell photoionization cross-sections at 1254 and 1487 eV" 128 | J. H. Scofield, Journal of Electron Spectroscopy and Related Phenomena, 8129-137 (1976). 129 | - http://dx.doi.org/10.1016/0368-2048(76)80015-1 130 | - https://a-x-s.org/research/cross-sections/ 131 | 132 | "Calculated Auger yields and sensitivity factors for KLL-NOO transitions with 1-10 kV primary beams" 133 | S. Mroczkowski and D. Lichtman, J. Vac. Sci. Technol. A 3, 1860 (1985). 134 | - http://dx.doi.org/10.1116/1.572933 135 | - http://www.materialinterface.com/wp-content/uploads/2014/11/Calculated-AES-yields-Matl-Interface.pdf 136 | 137 | (Electron beam energy at 1, 3, 5, and 10 keV for relative cross section and derivative factors) 138 | 139 | 140 | ## Interface design 141 | 142 | An initial gui concept is taken from [here](http://songhuiming.github.io/pages/2016/05/31/read-in-csv-and-plot-with-matplotlib-in-pyqt4/) and [there](https://stackoverflow.com/questions/47964897/how-to-graph-from-a-csv-file-using-matpotlib-and-pyqt5). 143 | 144 | ![LG4X interface cencept](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202020-05-24%20at%2021.24.14.png "GUI") 145 | 146 | ### Buttons 147 | 148 | #### Evaluate 149 | You can evaluate the fitting parameters without fitting optimization on data spectrum. If you do not select the data, it works as simulation mode in the range you specify in BG table (`x_min`, `x_max`, the number of data points `pt`). 150 | 151 | #### Fit 152 | You can optimize the fitting parameters by least-square method, and parameters in the table are updated after optimization. 153 | 154 | #### Export 155 | **LG4X** exports fitting results in two different files. One is a text file for fitting conditions `_fit.txt`, the other is a csv format file for data `_fit_csv`, which is saved at the same directory of the former file. 156 | 157 | #### Add and rem peak 158 | You can add and remove peak at the end of column from the Fit table. 159 | 160 | ### Drop-down menus 161 | 162 | #### Importing data 163 | **LG4X** imports csv format or tab separated text files. A data file should contain two columns. First column is energy and second column is spectral intensity. **LG4X** skips first row, because it is typically used for column names. Example data files are available in [Example](https://github.com/hidecode221b/LG4X/tree/master/Example). Energy and instensiy are calibrated in the Excel XPS macro ([EX3ms](https://github.com/hidecode221b/xps-excel-macro)) prior to the analysis for convenience. The method of energy calibration is discussed in the [link](https://doi.org/10.1016/j.pmatsci.2019.100591). 164 | 165 | VAMAS file format can also be imported in **LG4X** by decomposing a VAMAS file into the tab separated text files based on the block and sample idenfitifers. Exported tab separated text files are available in the same directory as the VAMAS file. You can just use **LG4X** to convert the VAMAS file into tab separated text files for the other program you prefer. Note that the binding energy scale is automatically created from VAMAS for XPS and UPS data. 166 | 167 | Imported data is displayed in the figure and listed in the file list. You can also open the directory to import all csv and text files in the file list. 168 | 169 | #### File list 170 | Imported file path is added in the list. You can choose the path to import a data file again from the list once you import the data file. Fitting parameters are loaded from `Fitting preset` menu below. 171 | 172 | #### Fitting preset 173 | Fitting condition can be created in the BG and Fit tables. From fitting preset drop-down menu, you can create the most simple single-peak preset from `New`. If you have a preset previously saved, you can `load` a preset file, which will be listed in the `Fitting preset`. Typical conditions for XPS `C1s` and `C K edge` are also available from the list as examples. A preset filename is ended with `_pars.dat`, and parameters include in the preset file as a list in the following way. 174 | 175 | > [*BG type index*, [*BG table parameters*], [*Fit table parameters*]] 176 | 177 | `Periodic table` is available to identify the peak position and relative intensity based on XPS Al Kα excitation source (1486.6 eV). If you change the excitation energy `hn` and work function `wf`, the core-level and Auger peak energies are revised according to the equation below. 178 | 179 | > BE = hn - wf - KE 180 | 181 | `BE` represents the binding energy, and `KE` kinetic energy. The database reference and example usage of periodic table are shown below. `Refresh` button enables us to display elements in the other dataset, and `Clear` button removes all elements. 182 | 183 | #### BG types (`Shirley BG` to be shown as a default) 184 | You can choose the BG type to be subtracted from the raw data as listed below. Shirley and Tougaard BG iteration functions are available from xpypy.py, which should be located with main.py. From lmfit [built-in models](https://lmfit.github.io/lmfit-py/builtin_models.html), 3rd-order polynomial and 3 step functions are implemented. Fermi-Dirac (ThermalDistributionModel) is used for the Fermi edge fitting, and arctan and error functions (StepModel) for NEXAFS K edge BG. Polynomial function is added to the other BG models configured in the BG table, so polynomial parameters have to be taken into account for all BG optimization. You can turn off polynomial parameters by filling all zeros with turning on checkbox. Valence band maximum and secondary electron cutoff can be fitted with the 4th polynomial function for the density of states or edge jump at the onset. 185 | 186 | | No. | String | BG model | Parameters | 187 | | --- | --- | --- | --- | 188 | | 0 | | | `x_min`, `x_max` for fitting range, data points in simulation `pt`, `hn`, `wf` | 189 | | 1 | | Shirley BG | Initial `cv`, max iteration number `it` | 190 | | 2 | | Tougaard BG | `B`, `C`, `C'`, `D` | 191 | | 3 | pg | [Polynomial BG](https://lmfit.github.io/lmfit-py/builtin_models.html#polynomialmodel) | c0, c1, c2, c3 | 192 | | 4 | bg | [Fermi-Dirac BG](https://lmfit.github.io/lmfit-py/builtin_models.html#thermaldistributionmodel) | amplitude, center, kt | 193 | | 5 | bg | [Arctan BG](https://lmfit.github.io/lmfit-py/builtin_models.html#stepmodel) | amplitude, center, sigma | 194 | | 6 | bg | [Error BG](https://lmfit.github.io/lmfit-py/builtin_models.html#stepmodel) | amplitude, center, sigma | 195 | | 7 | bg | VBM/cutoff | center, d1, d2, d3, d4 | 196 | 197 | ### Tables 198 | 199 | #### BG table 200 | You can specify the range for fitting region in the first row of BG table. Checkbox works as a constraint at the value beside. Range and polynomial rows are independent from the drop-down menu selection for background. 201 | 202 | #### Fit table 203 | All conditions are based on the lmfit [built-in models](https://lmfit.github.io/lmfit-py/builtin_models.html) listed in the Fit table. Peak models are listed below. For standard XPS analysis, amplitude ratios `amp_ratio` and peak differences `ctr_diff` can be setup from their referenced peak `amp_ref` and `ctr_ref`, respectively from drop-down menu in each column. The number of peaks can be varied with `add peak` and `rem peak` buttons. Checkbox can be used for either fixing values or bound conditions if you check beside value. Empty cells do not effect to the optimization. 204 | 205 | | No. | String | Peak model | Parameters | 206 | | --- | --- | --- | --- | 207 | | 1 | g | [GaussianModel](https://lmfit.github.io/lmfit-py/builtin_models.html#gaussianmodel) | amplitude`amp`, center`ctr`, sigma`sig` | 208 | | 2 | l | [LorentzianModel](https://lmfit.github.io/lmfit-py/builtin_models.html#lorentzianmodel) | amplitude, center, sigma | 209 | | 3 | v | [VoigtModel](https://lmfit.github.io/lmfit-py/builtin_models.html#voigtmodel) | amplitude, center, sigma, gamma`gam` | 210 | | 4 | p | [PseudoVoigtModel](https://lmfit.github.io/lmfit-py/builtin_models.html#pseudovoigtmodel) | amplitude, center, sigma, fraction`frac` | 211 | | 5 | e | [ExponentialGaussianModel](https://lmfit.github.io/lmfit-py/builtin_models.html#exponentialgaussianmodel) | amplitude, center, sigma, gamma | 212 | | 6 | s | [SkewedGaussianModel](https://lmfit.github.io/lmfit-py/builtin_models.html#skewedgaussianmodel) | amplitude, center, sigma, gamma | 213 | | 7 | a | [SkewedVoigtModel](https://lmfit.github.io/lmfit-py/builtin_models.html#skewedvoigtmodel) | amplitude, center, sigma, gamma, `skew` | 214 | | 8 | b | [BreitWignerModel](https://lmfit.github.io/lmfit-py/builtin_models.html#breitwignermodel) | amplitude, center, sigma, `q` | 215 | | 9 | n | [LognormalModel](https://lmfit.github.io/lmfit-py/builtin_models.html#lognormalmodel) | amplitude, center, sigma | 216 | | 10 | d | [DoniachModel](https://lmfit.github.io/lmfit-py/builtin_models.html#doniachmodel) | amplitude, center, sigma, gamma | 217 | 218 | ##### Amplitude ratio and energy difference 219 | XPS doublet peaks are splitted by the spin-orbit coupling based on the atomic theory. Spin-orbit interaction depends on the atomic element and its orbit. The energy separation of doublet corresponds to the spin-orbit constant. Amplitude ratio of doublet is based on the degeneracy (2*j*+1) of each total angular quantum number (*j*). **LG4X** constrains `amp_ratio` and `ctr_diff` from a reference peak `amp_ref` and `ctr_ref` selected by dropdown menus. For example, Ag3*d* has *j*=5/2 and 3/2, and their amplitude ratio corresponds to 3:2. You can setup second peak amplitude ratio by selecting the first peak at *j*=5/2 and `amp_ratio` = 0.67. This means that amplitude of second peak at *j*=3/2 is constrained by a factor of 0.67 against that of first peak. Peak difference parameter also works in a way that second peak position is away from first peak `ctr_ref` by `ctr_diff` = 6 eV as shown in the figure below. 220 | 221 | Note that amplitude used in the lmfit package is equivalent to the peak area that is propoertional to the amount of element in analytical area and depth by XPS. The atomic ratio is evaluated by the peak area normalized by the sensitivity factor. The ratio of sensitivity factors on doublet peaks is the same as that in multiplicity, so the normalized peak area of one doublet peak is the same as that in other one. 222 | 223 | A comprehensive review on XPS technique and analytical procedures is available in link below. 224 | 225 | > ["X-ray photoelectron spectroscopy: Towards reliable binding energy referencing" G. Greczynski and L. Hultman, Progress in Materials Science 107, 100591 (2020).](https://doi.org/10.1016/j.pmatsci.2019.100591) 226 | 227 | ## Examples 228 | 229 | ![XPS C1s spectrum](https://github.com/heitler/LG4X/blob/master/Images/Capture.PNG "XPS C1s spectrum") 230 | 231 | ![XPS Ag3d spectrum](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202020-05-27%20at%2023.14.49.png "XPS Ag3d spectrum") 232 | 233 | ![NEXAFS C K edge spectrum](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202020-05-22%20at%201.45.37.png "NEXAFS C K edge spectrum") 234 | 235 | ![UPS Fermi-edge spectrum](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202020-05-21%20at%2020.11.36.png "UPS Fermi-edge spectrum") 236 | 237 | ![Simulated spectrum](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202020-05-22%20at%201.15.35.png "Simulated spectrum") 238 | 239 | ![Survey scan](https://github.com/heitler/LG4X/blob/master/Images/Screen%20Shot%202021-10-07%20at%200.03.56.png "Survey scan with periodic table") 240 | 241 | You can find the VAMAS format data of various spectra from [Spectroscopy Hub](https://spectroscopyhub.com/measurements). 242 | 243 | 244 | 245 | 246 | -------------------------------------------------------------------------------- /Python/elementdata.py: -------------------------------------------------------------------------------- 1 | class ElementData: 2 | def __init__(self): 3 | self.xps = [ 4 | { 5 | 'symbol': 'Refresh', 6 | 'alka': {'trans': [], 'be': [], 'rsf': []}, 7 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 8 | }, 9 | { 10 | 'symbol': 'Clear', 11 | 'alka': {'trans': [], 'be': [], 'rsf': []}, 12 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 13 | }, 14 | { 15 | 'symbol': 'H', 16 | 'alka': {'trans': ['1s'], 'be': [13.6], 'rsf': [.0002]}, 17 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 18 | }, 19 | { 20 | 'symbol': 'He', 21 | 'alka': {'trans': ['1s'], 'be': [24.6], 'rsf': [.0082]}, 22 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 23 | }, 24 | { 25 | 'symbol': 'Li', 26 | 'alka': {'trans': ['1s'], 'be': [54.7], 'rsf': [.0568]}, 27 | 'aes': {'trans': ['KLL'], 'ke': [43], 'rsf': [.977]} 28 | }, 29 | { 30 | 'symbol': 'Be', 31 | 'alka': {'trans': ['1s'], 'be': [111.5], 'rsf': [.1947]}, 32 | 'aes': {'trans': ['KLL'], 'ke': [104], 'rsf': [.456]} 33 | }, 34 | { 35 | 'symbol': 'B', 36 | 'alka': {'trans': ['1s'], 'be': [188], 'rsf': [.486]}, 37 | 'aes': {'trans': ['KLL'], 'ke': [179], 'rsf': [.289]} 38 | }, 39 | { 40 | 'symbol': 'C', 41 | 'alka': {'trans': ['1s'], 'be': [284.2], 'rsf': [1]}, 42 | 'aes': {'trans': ['KLL'], 'ke': [272], 'rsf': [.209]} 43 | }, 44 | { 45 | 'symbol': 'N', 46 | 'alka': {'trans': ['1s', '2s'], 'be': [409.9, 37.3], 'rsf': [1.8, .0867]}, 47 | 'aes': {'trans': ['KLL'], 'ke': [379], 'rsf': [.159]} 48 | }, 49 | { 50 | 'symbol': 'O', 51 | 'alka': {'trans': ['1s', '2s'], 'be': [543.1, 41.6], 'rsf': [2.93, .1405]}, 52 | 'aes': {'trans': ['KLL'], 'ke': [503], 'rsf': [.129]} 53 | }, 54 | { 55 | 'symbol': 'F', 56 | 'alka': {'trans': ['1s'], 'be': [696.7], 'rsf': [4.43]}, 57 | 'aes': {'trans': ['KLL'], 'ke': [647], 'rsf': [.105]} 58 | }, 59 | { 60 | 'symbol': 'Ne', 61 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [870.2, 48.5, 21.7, 21.6], 'rsf': [6.3, .296, .0347, .0683]}, 62 | 'aes': {'trans': ['KLL'], 'ke': [805], 'rsf': [.0846]} 63 | }, 64 | { 65 | 'symbol': 'Na', 66 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [1070.8, 63.5, 30.65, 30.81], 'rsf': [8.52, .422, .0654, .1287]}, 67 | 'aes': {'trans': ['KLL'], 'ke': [990], 'rsf': [.0714]} 68 | }, 69 | { 70 | 'symbol': 'Mg', 71 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [1303, 88.7, 49.78, 49.5], 'rsf': [11.18, .575, .1125, .221]}, 72 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [1186, 45], 'rsf': [.0593, 3.43]} 73 | }, 74 | { 75 | 'symbol': 'Al', 76 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [1559.6, 117.8, 72.95, 72.55], 'rsf': [.0001, .753, .1811, .356]}, 77 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [1396, 68], 'rsf': [.0497, 2.44]} 78 | }, 79 | { 80 | 'symbol': 'Si', 81 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [1839, 149.7, 99.82, 99.42], 'rsf': [.0001, .955, .276, .541]}, 82 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [1619, 92], 'rsf': [.0417, 1.78]} 83 | }, 84 | { 85 | 'symbol': 'P', 86 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [2145.5, 189, 136, 135], 'rsf': [.0001, 1.18, .403, .789]}, 87 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [1859, 120], 'rsf': [.035, 1.36]} 88 | }, 89 | { 90 | 'symbol': 'S', 91 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [2472, 230.9, 163.6, 162.5], 'rsf': [.0001, 1.43, .567, 1.11]}, 92 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [2117, 152], 'rsf': [.0295, 1.14]} 93 | }, 94 | { 95 | 'symbol': 'Cl', 96 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2'], 'be': [2822.4, 270, 202, 200], 'rsf': [.0001, 1.69, .775, 1.51]}, 97 | 'aes': {'trans': ['KLL', 'LMM'], 'ke': [2378, 181], 'rsf': [.0001, .984]} 98 | }, 99 | { 100 | 'symbol': 'Ar', 101 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [3205.9, 326.3, 250.6, 248.4, 29.3, 15.9, 15.7], 'rsf': [.0001, 1.97, 1.03, 2.01, .227, .0821, .1597]}, 102 | 'aes': {'trans': ['LMM'], 'ke': [215], 'rsf': [.827]} 103 | }, 104 | { 105 | 'symbol': 'K', 106 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [3608.4, 378.6, 297.3, 294.6, 34.8, 18.3, 18.3], 'rsf': [.0001, 2.27, 1.35, 2.62, .286, .1229, .239]}, 107 | 'aes': {'trans': ['LMM'], 'ke': [252], 'rsf': [.723]} 108 | }, 109 | { 110 | 'symbol': 'Ca', 111 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [4038.5, 438.4, 349.7, 346.2, 44.3, 25.4, 25.4], 'rsf': [.0001, 2.59, 1.72, 3.35, .351, .172, .335]}, 112 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [291, 20], 'rsf': [.633, .0001]} 113 | }, 114 | { 115 | 'symbol': 'Sc', 116 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [4492, 498, 403.6, 398.7, 51.1, 28.3, 28.3], 'rsf': [.0001, 2.91, 2.17, 4.21, .411, .221, .429]}, 117 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [340, 24], 'rsf': [.563, .0001]} 118 | }, 119 | { 120 | 'symbol': 'Ti', 121 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [4966, 560.9, 460.2, 453.8, 58.7, 32.6, 32.6], 'rsf': [.0001, 3.24, 2.69, 5.22, .473, .276, .537]}, 122 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [418, 27], 'rsf': [.514, .0001]} 123 | }, 124 | { 125 | 'symbol': 'V', 126 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [5465, 626.7, 519.8, 512.1, 66.3, 37.2, 37.2], 'rsf': [.0001, 3.57, 3.29, 6.37, .538, .339, .657]}, 127 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [473, 31], 'rsf': [.471, 5.03]} 128 | }, 129 | { 130 | 'symbol': 'Cr', 131 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [5989, 696, 583.8, 574.1, 74.1, 42.2, 42.2], 'rsf': [.0001, 3.91, 3.98, 7.69, .596, .4, .773]}, 132 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [529, 36], 'rsf': [.432, 4.6]} 133 | }, 134 | { 135 | 'symbol': 'Mn', 136 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [6539, 769.1, 649.9, 638.7, 82.3, 47.2, 47.2], 'rsf': [.0001, 4.23, 4.74, 9.17, .674, .485, .938]}, 137 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [589, 40], 'rsf': [.397, 3.96]} 138 | }, 139 | { 140 | 'symbol': 'Fe', 141 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [7112, 844.6, 719.9, 706.8, 91.3, 52.7, 52.7], 'rsf': [.0001, 4.57, 5.6, 10.82, .745, .569, 1.1]}, 142 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [703, 47], 'rsf': [.367, 3.5]} 143 | }, 144 | { 145 | 'symbol': 'Co', 146 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [7709, 925.1, 793.2, 778.1, 101, 58.9, 59.9], 'rsf': [.0001, 4.88, 6.54, 12.62, .818, .66, 1.27]}, 147 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [775, 53], 'rsf': [.341, 3.12]} 148 | }, 149 | { 150 | 'symbol': 'Ni', 151 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [8333, 1008.6, 870, 852.7, 110.8, 68, 66.2], 'rsf': [.0001, 5.16, 7.57, 14.61, .892, .757, 1.46]}, 152 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [848, 61], 'rsf': [.316, 2.65]} 153 | }, 154 | { 155 | 'symbol': 'Cu', 156 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2'], 'be': [8979, 1096.7, 952.3, 932.7, 122.5, 77.3, 75.1], 'rsf': [.0001, 5.46, 8.66, 16.73, .957, .848, 1.63]}, 157 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [920, 60], 'rsf': [.294, 2.41]} 158 | }, 159 | { 160 | 'symbol': 'Zn', 161 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [9659, 1196.2, 1044.9, 1021.8, 139.8, 91.4, 88.6, 10.2, 10.1], 'rsf': [.0001, 5.76, 9.8, 18.92, 1.04, .968, 1.86, .33, .48]}, 162 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [994, 59], 'rsf': [.271, 1.98]} 163 | }, 164 | { 165 | 'symbol': 'Ga', 166 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [10367, 1299, 1143.2, 1116.4, 159.5, 103.5, 100, 18.7, 18.7], 'rsf': [.0001, 6.07, 11.09, 21.4, 1.13, 1.1, 2.11, .442, .643]}, 167 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1070, 55], 'rsf': [.25, 1.57]} 168 | }, 169 | { 170 | 'symbol': 'Ge', 171 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [11103, 1414.6, 1248.1, 1217, 180.1, 124.9, 120.8, 29.8, 29.2], 'rsf': [.0001, 6.31, 12.52, 24.15, 1.23, 1.24, 2.39, .578, .842]}, 172 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1147, 23], 'rsf': [.229, 1.27]} 173 | }, 174 | { 175 | 'symbol': 'As', 176 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [11867, 1527, 1359.1, 1323.6, 204.7, 146.2, 141.2, 41.7, 41.7], 'rsf': [.0001, .0001, 14.07, 27.19, 1.32, 1.39, 2.68, .741, 1.08]}, 177 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1228, 31], 'rsf': [.211, 1.06]} 178 | }, 179 | { 180 | 'symbol': 'Se', 181 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [12658, 1652, 1474.3, 1433.9, 229.6, 166.5, 160.7, 55.5, 54.6], 'rsf': [.0001, .0001, 13.66, 25.9, 1.43, 1.55, 2.98, .934, 1.36]}, 182 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1315, 43], 'rsf': [.194, 5.44]} 183 | }, 184 | { 185 | 'symbol': 'Br', 186 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2'], 'be': [13474, 1782, 1596, 1550, 257, 189, 182, 70, 69], 'rsf': [.0001, .0001, .0001, .0001, 1.53, 1.72, 3.31, 1.16, 1.68]}, 187 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1396, 55], 'rsf': [.179, 4.37]} 188 | }, 189 | { 190 | 'symbol': 'Kr', 191 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [14326, 1921, 1730.9, 1678.4, 292.8, 222.2, 214.4, 95, 93.8, 27.5, 14.1, 14.1], 'rsf': [.0001, .0001, .0001, .0001, 1.64, 1.89, 3.65, 1.42, 2.06, .213, .1643, .312]}, 192 | 'aes': {'trans': ['LMM'], 'ke': [1474], 'rsf': [.164]} 193 | }, 194 | { 195 | 'symbol': 'Rb', 196 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [15200, 2065, 1864, 1804, 326.7, 248.7, 239.1, 113, 112, 30.5, 16.3, 15.3], 'rsf': [.0001, .0001, .0001, .0001, 1.75, 2.07, 4, 1.72, 2.49, .251, .214, .411]}, 197 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1565, 76], 'rsf': [.152, 2.63]} 198 | }, 199 | { 200 | 'symbol': 'Sr', 201 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [16105, 2216, 2007, 1940, 358.7, 280.3, 270, 136, 134.2, 38.9, 21.3, 20.1], 'rsf': [.0001, .0001, .0001, .0001, 1.86, 2.25, 4.37, 2.06, 2.99, .291, .265, .51]}, 202 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1649, 110], 'rsf': [.14, 2.17]} 203 | }, 204 | { 205 | 'symbol': 'Y', 206 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [17038, 2373, 2156, 2080, 392, 310.6, 298.8, 157.7, 155.8, 43.8, 24.4, 23.1], 'rsf': [.0001, .0001, .0001, .0001, 1.98, 2.44, 4.75, 2.44, 3.54, .329, .311, .599]}, 207 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1746, 127], 'rsf': [.129, 1.86]} 208 | }, 209 | { 210 | 'symbol': 'Zr', 211 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [17998, 2532, 2307, 2223, 430.3, 343.5, 329.8, 181.1, 178.8, 50.6, 28.5, 27.1], 'rsf': [.0001, .0001, .0001, .0001, 2.1, 2.64, 5.14, 2.87, 4.17, .367, .357, .689]}, 212 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1845, 147], 'rsf': [.119, 1.66]} 213 | }, 214 | { 215 | 'symbol': 'Nb', 216 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [18986, 2698, 2465, 2371, 466.6, 376.1, 360.6, 205, 202.3, 56.4, 32.6, 30.8], 'rsf': [.0001, .0001, .0001, .0001, 2.22, 2.84, 5.53, 3.35, 4.86, .402, .398, .767]}, 217 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [1944, 167], 'rsf': [.11, 1.5]} 218 | }, 219 | { 220 | 'symbol': 'Mo', 221 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [20000, 2866, 2625, 2520, 506.3, 411.6, 394, 231.1, 227.9, 63.2, 37.6, 35.5], 'rsf': [.0001, .0001, .0001, .0001, 2.34, 3.04, 5.94, 3.88, 5.62, .44, .445, .86]}, 222 | 'aes': {'trans': ['LMM', 'MNN'], 'ke': [2044, 186], 'rsf': [.101, 1.39]} 223 | }, 224 | { 225 | 'symbol': 'Tc', 226 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [21044, 3043, 2793, 2677, 544, 447.6, 417.7, 257.6, 253.9, 69.5, 42.3, 39.9], 'rsf': [.0001, .0001, .0001, .0001, 2.45, 3.23, 6.36, 4.46, 6.47, .479, .494, .955]}, 227 | 'aes': {'trans': ['MNN'], 'ke': [249], 'rsf': [1.29]} 228 | }, 229 | { 230 | 'symbol': 'Ru', 231 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [22117, 3224, 2967, 2838, 586.1, 483.5, 461.4, 284.2, 280, 75, 46.3, 43.2], 'rsf': [.0001, .0001, .0001, .0001, 2.57, 3.44, 6.78, 5.1, 7.39, .519, .544, 1.05]}, 232 | 'aes': {'trans': ['MNN'], 'ke': [273], 'rsf': [1.2]} 233 | }, 234 | { 235 | 'symbol': 'Rh', 236 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [23220, 3412, 3146, 3004, 628.1, 521.3, 496.5, 311.9, 307.2, 81.4, 50.5, 47.3], 'rsf': [.0001, .0001, .0001, .0001, 2.7, 3.64, 7.21, 5.8, 8.39, .56, .595, 1.15]}, 237 | 'aes': {'trans': ['MNN'], 'ke': [302], 'rsf': [1.13]} 238 | }, 239 | { 240 | 'symbol': 'Pd', 241 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [24350, 3604, 3330, 3173, 671.6, 559.9, 532.3, 340.5, 335.2, 87.1, 55.7, 50.9], 'rsf': [.0001, .0001, .0001, .0001, 2.81, 3.83, 7.63, 6.56, 9.48, .598, .641, 1.24]}, 242 | 'aes': {'trans': ['MNN'], 'ke': [330], 'rsf': [1.07]} 243 | }, 244 | { 245 | 'symbol': 'Ag', 246 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2'], 'be': [25514, 3806, 3524, 3351, 719, 603.8, 573, 374, 368.3, 97, 63.7, 58.3], 'rsf': [.0001, .0001, .0001, .0001, 2.93, 4.03, 8.06, 7.38, 10.66, .644, .7, 1.36]}, 247 | 'aes': {'trans': ['MNN'], 'ke': [351], 'rsf': [1]} 248 | }, 249 | { 250 | 'symbol': 'Cd', 251 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [26711, 4018, 3727, 3538, 772, 652.6, 618.4, 411.9, 405.2, 109.8, 63.9, 63.9, 11.7, 10.7], 'rsf': [.0001, .0001, .0001, .0001, 3.04, 4.22, 8.5, 8.27, 11.95, .692, .762, 1.49, .778, 1.11]}, 252 | 'aes': {'trans': ['MNN'], 'ke': [376], 'rsf': [.931]} 253 | }, 254 | { 255 | 'symbol': 'In', 256 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [27940, 4238, 3938, 3730, 827.2, 703.2, 665.3, 451.4, 443.9, 122.9, 73.5, 73.5, 17.7, 16.9], 'rsf': [.0001, .0001, .0001, .0001, 3.16, 4.4, 8.93, 9.22, 13.32, .742, .828, 1.62, .935, 1.34]}, 257 | 'aes': {'trans': ['MNN'], 'ke': [404], 'rsf': [.867]} 258 | }, 259 | { 260 | 'symbol': 'Sn', 261 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [29200, 4465, 4156, 3929, 884.7, 756.5, 714.6, 493.2, 484.9, 137.1, 83.6, 83.6, 24.9, 23.9], 'rsf': [.0001, .0001, .0001, .0001, 3.26, 4.58, 9.35, 10.25, 14.8, .794, .897, 1.77, 1.11, 1.59]}, 262 | 'aes': {'trans': ['MNN'], 'ke': [430], 'rsf': [.809]} 263 | }, 264 | { 265 | 'symbol': 'Sb', 266 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [30491, 4698, 4380, 4132, 946, 812.7, 766.4, 537.5, 528.2, 153.2, 95.6, 95.6, 33.3, 32.1], 'rsf': [.0001, .0001, .0001, .0001, 3.36, 4.76, 9.77, 11.35, 16.39, .848, .968, 1.91, 1.29, 1.85]}, 267 | 'aes': {'trans': ['MNN'], 'ke': [454], 'rsf': [.759]} 268 | }, 269 | { 270 | 'symbol': 'Te', 271 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [31814, 4939, 4612, 4341, 1006, 870.8, 820, 583.4, 573, 169.4, 103.3, 103.3, 41.9, 40.4], 'rsf': [.0001, .0001, .0001, .0001, 3.46, 4.92, 10.21, 12.52, 18.06, .903, 1.04, 2.07, 1.49, 2.14]}, 272 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [483, 31], 'rsf': [.713, .0001]} 273 | }, 274 | { 275 | 'symbol': 'I', 276 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [33169, 5188, 4852, 4557, 1072, 931, 875, 630.8, 619.3, 186, 123, 123, 50.6, 48.9], 'rsf': [.0001, .0001, .0001, .0001, 3.53, 5.06, 10.62, 13.77, 19.87, .959, 1.11, 2.23, 1.69, 2.44]}, 277 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [511, 37], 'rsf': [.67, .0001]} 278 | }, 279 | { 280 | 'symbol': 'Xe', 281 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '5s', '5p1/2', '5p3/2'], 'be': [34561, 5453, 5107, 4786, 1148.7, 1002.1, 940.6, 689, 676.4, 213.2, 146.7, 145.5, 69.5, 67.5, 23.3, 13.4, 12.1], 'rsf': [.0001, .0001, .0001, .0001, 3.62, 5.2, 10.99, 15.1, 21.79, 1.02, 1.19, 2.39, 1.92, 2.76, .1596, .1361, .26]}, 282 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [532, 41], 'rsf': [.626, .0001]} 283 | }, 284 | { 285 | 'symbol': 'Cs', 286 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '5s', '5p1/2', '5p3/2'], 'be': [35985, 5714, 5359, 5012, 1211, 1071, 1003, 740.5, 726.6, 232.3, 172.4, 161.3, 79.8, 77.5, 22.7, 14.2, 12.1], 'rsf': [.0001, .0001, .0001, .0001, 3.73, 5.29, 11.38, 16.46, 23.76, 1.08, 1.27, 2.56, 2.15, 3.1, .1843, .1697, .332]}, 287 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [563, 47], 'rsf': [.589, .0001]} 288 | }, 289 | { 290 | 'symbol': 'Ba', 291 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '5s', '5p1/2', '5p3/2'], 'be': [37441, 5989, 5624, 5247, 1293, 1137, 1063, 795.7, 780.5, 253.5, 192, 178.6, 92.6, 89.9, 30.3, 17, 14.8], 'rsf': [.0001, .0001, .0001, .0001, 3.84, 5.42, 11.71, 17.92, 25.84, 1.13, 1.34, 2.73, 2.4, 3.46, .21, .202, .4]}, 292 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [584, 57], 'rsf': [.554, 3.41]} 293 | }, 294 | { 295 | 'symbol': 'La', 296 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '5s', '5p1/2', '5p3/2'], 'be': [38925, 6266, 5891, 5483, 1362, 1209, 1128, 853, 836, 274.7, 205.8, 196, 105.3, 102.5, 34.3, 19.3, 16.8], 'rsf': [.0001, .0001, .0001, .0001, 3.89, 5.55, 12.11, 19.5, 28.12, 1.19, 1.42, 2.91, 2.67, 3.85, .234, .23, .458]}, 297 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [625, 78], 'rsf': [.527, 3.12]} 298 | }, 299 | { 300 | 'symbol': 'Ce', 301 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [40443, 6549, 6164, 5723, 1436, 1274, 1187, 902.4, 883.8, 291, 223.2, 206.5, 109, .1, .1, 37.8, 19.8, 17], 'rsf': [.0001, .0001, .0001, .0001, 3.93, 5.66, 12.53, 21.12, 30.5, 1.24, 1.47, 3.03, 2.84, .0609, .078, .23, .221, .439]}, 302 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [661, 82], 'rsf': [.503, 2.79]} 303 | }, 304 | { 305 | 'symbol': 'Pr', 306 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [41991, 6835, 6440, 5964, 1511, 1337, 1242, 948.3, 928.8, 304.5, 236.3, 217.6, 115.1, 115.1, 2, 2, 37.4, 22.3, 22.3], 'rsf': [.0001, .0001, .0001, .0001, 3.98, 5.75, 12.94, 22.72, 32.85, 1.28, 1.53, 3.17, 3.07, 4.41, .1115, .143, .238, .229, .456]}, 307 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [699, 87], 'rsf': [.485, 2.72]} 308 | }, 309 | { 310 | 'symbol': 'Nd', 311 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [43569, 7126, 6722, 6208, 1575, 1403, 1297, 1003.3, 980.4, 319.2, 243.3, 224.6, 120.5, 120.5, 1.5, 1.5, 37.5, 21.1, 21.1], 'rsf': [.0001, .0001, .0001, .0001, .0001, 5.75, 13.35, 24.27, 35.29, 1.33, 1.59, 3.31, 3.29, 4.74, .1788, .228, .247, .236, .472]}, 312 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [730, 91], 'rsf': [.469, 2.65]} 313 | }, 314 | { 315 | 'symbol': 'Pm', 316 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4p1/2', '4p3/2', '4d3/2', '4d5/2'], 'be': [45184, 7428, 7013, 6459, 1471, 1357, 1052, 1027, 242, 242, 120, 120], 'rsf': [.0001, .0001, .0001, .0001, 5.72, 13.66, 26.08, 37.65, 1.64, 3.45, 3.52, 5.07]}, 317 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 318 | }, 319 | { 320 | 'symbol': 'Sm', 321 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [46834, 7737, 7312, 6716, 1723, 1541, 1420, 1110.9, 1083.4, 347.2, 265.6, 247.4, 129, 129, 5.2, 5.2, 37.4, 21.3, 21.3], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, 13.84, 27.96, 40.37, 1.42, 1.7, 3.59, 3.76, 5.4, .374, .477, .261, .249, .501]}, 322 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [814, 100], 'rsf': [.435, 2.43]} 323 | }, 324 | { 325 | 'symbol': 'Eu', 326 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '5s', '5p1/2', '5p3/2'], 'be': [48519, 8052, 7617, 6977, 1800, 1614, 1481, 1158.6, 1127.5, 360, 284, 257, 133, 127.7, 32, 22, 22], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, 14.3, 29.91, 43.24, 1.46, 1.75, 3.72, 3.99, 5.74, .268, .255, .515]}, 327 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [858, 109], 'rsf': [.42, 2.37]} 328 | }, 329 | { 330 | 'symbol': 'Gd', 331 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [50239, 8376, 7930, 7243, 1881, 1688, 1544, 1221.9, 1189.6, 378.6, 286, 271, 142.6, 8.6, 8.6, 36, 28, 21], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, 31.98, 46.23, 1.51, 1.8, 3.88, 6.14, .63, .804, .288, .279, .568]}, 332 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [895, 138], 'rsf': [.405, 2.26]} 333 | }, 334 | { 335 | 'symbol': 'Tb', 336 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [51996, 8708, 8252, 7514, 1968, 1768, 1611, 1276.9, 1241.1, 396, 322.4, 284.1, 150.5, 150.5, 7.7, 2.4, 45.6, 28.7, 22.6], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, 34.2, 49.42, 1.54, 1.84, 3.99, 4.46, 6.41, .867, 1.1, .281, .265, .539]}, 337 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1073, 146], 'rsf': [.39, 2.15]} 338 | }, 339 | { 340 | 'symbol': 'Dy', 341 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [53789, 9046, 8581, 7790, 2047, 1842, 1676, 1333, 1292.6, 414.2, 333.5, 293.2, 153.6, 153.6, 8, 4.3, 49.9, 26.3, 26.3], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, 36.65, 52.83, 1.58, 1.88, 4.12, 4.69, 6.74, 1.1, 1.39, .287, .27, .551]}, 342 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1126, 151], 'rsf': [.377, 2.07]} 343 | }, 344 | { 345 | 'symbol': 'Ho', 346 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [55618, 9394, 8918, 8071, 2128, 1923, 1741, 1392, 1351, 432.4, 343.5, 308.2, 160, 160, 8.6, 5.2, 49.3, 30.8, 24.1], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, 39.19, 56.66, 1.61, 1.91, 4.24, 4.92, 7.08, 1.37, 1.73, .293, .274, .562]}, 347 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1175, 157], 'rsf': [.365, 1.98]} 348 | }, 349 | { 350 | 'symbol': 'Er', 351 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [57486, 9751, 9264, 8358, 2207, 2006, 1812, 1453, 1409, 449.8, 366.2, 320.2, 167.6, 167.6, 4.7, 50.6, 31.4, 24.7], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, 36.7, 60.42, 1.64, 1.95, 4.37, 5.15, 7.41, 2.13, .298, .277, .572]}, 352 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1393, 163], 'rsf': [.352, 1.87]} 353 | }, 354 | { 355 | 'symbol': 'Tm', 356 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [59390, 10116, 9617, 8648, 2307, 2090, 1885, 1515, 1468, 470.9, 385.9, 332.6, 175.5, 175.5, 4.6, 54.7, 31.8, 25], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 41.01, 1.67, 1.98, 4.48, 5.38, 7.74, 2.59, .303, .281, .583]}, 357 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1449, 166], 'rsf': [.34, 1.78]} 358 | }, 359 | { 360 | 'symbol': 'Yb', 361 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [61332, 10486, 9978, 8944, 2398, 2173, 1950, 1576, 1528, 480.5, 388.7, 339.7, 191.2, 182.4, 2.5, 1.3, 52, 30.3, 24.1], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.7, 2, 4.6, 5.61, 8.07, 2.47, 3.11, .308, .284, .592]}, 362 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1514, 170], 'rsf': [.329, 1.69]} 363 | }, 364 | { 365 | 'symbol': 'Lu', 366 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [63314, 10870, 10349, 9244, 2491, 2264, 2024, 1639, 1589, 506.8, 412.4, 359.2, 206.1, 196.3, 8.9, 7.5, 57.3, 33.6, 26.7], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.73, 2.03, 4.74, 5.87, 8.45, 2.87, 3.63, .326, .304, .645]}, 367 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1573, 177], 'rsf': [.317, 1.61]} 368 | }, 369 | { 370 | 'symbol': 'Hf', 371 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [65351, 11271, 10739, 9561, 2601, 2365, 2108, 1716, 1662, 538, 438.2, 380.7, 220, 211.5, 15.9, 14.2, 64.2, 38, 29.9], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.76, 2.06, 4.88, 6.13, 8.84, 3.32, 4.2, .344, .325, .699]}, 372 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1624, 185], 'rsf': [.303, 1.47]} 373 | }, 374 | { 375 | 'symbol': 'Ta', 376 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [67416, 11682, 11136, 9881, 2708, 2469, 2194, 1793, 1735, 563.4, 463.4, 400.9, 237.9, 226.4, 23.5, 21.6, 69.7, 42.2, 32.7], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.79, 2.08, 5.02, 6.4, 9.24, 3.8, 4.82, .363, .346, .754]}, 377 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1680, 179], 'rsf': [.29, 1.35]} 378 | }, 379 | { 380 | 'symbol': 'W', 381 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [69525, 12100, 11544, 10207, 2820, 2575, 2281, 1872, 1809, 594.1, 490.4, 423.6, 255.9, 243.5, 33.6, 31.4, 75.6, 45.3, 36.8], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.81, 2.1, 5.16, 6.68, 9.65, 4.32, 5.48, .383, .367, .811]}, 382 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1736, 179], 'rsf': [.278, 1.25]} 383 | }, 384 | { 385 | 'symbol': 'Re', 386 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [71676, 12527, 11959, 10535, 2932, 2682, 2367, 1949, 1883, 625.4, 518.7, 446.8, 273.9, 260.5, 42.9, 40.5, 83, 45.6, 34.6], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.84, 2.12, 5.3, 6.95, 10.06, 4.88, 6.2, .402, .387, .869]}, 387 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1799, 176], 'rsf': [.267, 1.17]} 388 | }, 389 | { 390 | 'symbol': 'Os', 391 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [73871, 12968, 12385, 10871, 3049, 2792, 2457, 2031, 1960, 658.2, 549.1, 470.7, 293.1, 278.5, 53.4, 50.7, 84, 58, 44.5], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.86, 2.13, 5.45, 7.23, 10.48, 5.48, 6.96, .422, .408, .928]}, 392 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1850, 170], 'rsf': [.255, 1.11]} 393 | }, 394 | { 395 | 'symbol': 'Ir', 396 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [76111, 13419, 12824, 11215, 3174, 2909, 2551, 2116, 2040, 691.1, 577.8, 495.8, 311.9, 296.3, 63.8, 60.8, 95.2, 63, 48], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.88, 2.14, 5.59, 7.51, 10.9, 6.12, 7.78, .438, .422, .967]}, 397 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1908, 171], 'rsf': [.244, 1.01]} 398 | }, 399 | { 400 | 'symbol': 'Pt', 401 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [78395, 13880, 13273, 11564, 3296, 3027, 2645, 2202, 2122, 725.4, 609.1, 519.4, 331.6, 314.6, 74.5, 71.2, 101.7, 65.3, 51.7], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.9, 2.14, 5.74, 7.78, 11.32, 6.81, 8.65, .459, .444, 1.04]}, 402 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [1967, 168], 'rsf': [.234, 5.48]} 403 | }, 404 | { 405 | 'symbol': 'Au', 406 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2'], 'be': [80725, 14353, 13734, 11919, 3425, 3148, 2743, 2291, 2206, 762.1, 642.7, 546.3, 353.2, 335.1, 87.6, 84, 107.2, 74.2, 57.2], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.92, 2.14, 5.89, 8.06, 11.74, 7.54, 9.58, .479, .463, 1.1]}, 407 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [2024, 239], 'rsf': [.223, 4.6]} 408 | }, 409 | { 410 | 'symbol': 'Hg', 411 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [83102, 14839, 14209, 12284, 3562, 3279, 2847, 2385, 2295, 802.2, 680.2, 576.6, 378.2, 358.8, 104, 99.9, 127, 83.1, 64.5, 9.6, 7.8], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.94, 2.14, 6.04, 8.33, 12.17, 8.32, 10.57, .5, .484, 1.17, .869, 1.21]}, 412 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [2078, 241], 'rsf': [.213, 3.78]} 413 | }, 414 | { 415 | 'symbol': 'Tl', 416 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [85530, 15347, 14698, 12658, 3704, 3416, 2957, 2485, 2389, 846.2, 720.5, 609.5, 405.7, 385, 122.2, 117.8, 136, 94.6, 73.5, 14.7, 12.5], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 2.13, 6.19, 8.6, 12.6, 9.14, 11.62, .52, .505, 1.25, .991, 1.39]}, 417 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [2134, 244], 'rsf': [.202, 3.06]} 418 | }, 419 | { 420 | 'symbol': 'Pb', 421 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [88005, 15861, 15200, 13035, 3851, 3554, 3066, 2586, 2484, 891.8, 761.9, 643.5, 434.3, 412.2, 141.7, 136.9, 147, 106.4, 83.3, 20.7, 18.1], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.96, 2.12, 6.33, 8.87, 13.02, 10.01, 12.73, .542, .526, 1.33, 1.11, 1.58]}, 422 | 'aes': {'trans': ['MNN', 'NOO'], 'ke': [2186, 249], 'rsf': [.192, 2.58]} 423 | }, 424 | { 425 | 'symbol': 'Bi', 426 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [90524, 16388, 15711, 13419, 3999, 3696, 3177, 2688, 2580, 939, 805.2, 678.8, 464, 440.1, 162.3, 157, 159.3, 119, 92.6, 26.9, 23.8], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.96, 2.1, 6.48, 9.14, 13.44, 10.93, 13.9, .563, .546, 1.41, 1.24, 1.76]}, 427 | 'aes': {'trans': ['MNN'], 'ke': [2243], 'rsf': [.183]} 428 | }, 429 | { 430 | 'symbol': 'Po', 431 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [93105, 16939, 16244, 13814, 4149, 3854, 3302, 2798, 2683, 995, 851, 705, 500, 473, 184, 184, 177, 132, 104, 31, 31], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.97, 2.07, 6.62, 9.4, 13.87, 11.9, 15.14, .584, .566, 1.5, 1.36, 1.95]}, 432 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 433 | }, 434 | { 435 | 'symbol': 'At', 436 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [95730, 17493, 16785, 14214, 4317, 4008, 3426, 2909, 2787, 1042, 886, 740, 533, 507, 210, 210, 195, 148, 115, 40, 40], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.96, 2.04, 6.77, 9.65, 14.29, 12.92, 16.44, .605, .584, 1.58, 1.49, 2.14]}, 437 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 438 | }, 439 | { 440 | 'symbol': 'Rn', 441 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2', '6s'], 'be': [98404, 18049, 17337, 14619, 4482, 4159, 3538, 3022, 2892, 1097, 929, 768, 567, 541, 238, 238, 214, 164, 127, 48, 48, 26], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 2, 6.92, 9.9, 14.7, 14, 17.81, .625, .602, 1.67, 1.62, 2.33, .1129]}, 442 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 443 | }, 444 | { 445 | 'symbol': 'Fr', 446 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2', '6s', '6p1/2', '6p3/2'], 'be': [101137, 18639, 17907, 15031, 4652, 4327, 3663, 3136, 3000, 1153, 980, 810, 603, 577, 268, 268, 234, 182, 140, 58, 58, 34, 15, 15], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 1.97, 7.07, 10.16, 15.11, 15.12, 19.24, .645, .618, 1.77, 1.75, 2.53, .1257, .0966, .24]}, 447 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 448 | }, 449 | { 450 | 'symbol': 'Ra', 451 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2', '6s', '6p1/2', '6p3/2'], 'be': [103922, 19237, 18484, 15444, 4822, 4490, 3792, 3248, 3105, 1208, 1058, 879, 636, 603, 299, 299, 254, 200, 153, 68, 68, 44, 19, 19], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 1.91, 7.2, 10.4, 15.53, 16.3, 20.74, .665, .633, 1.86, 1.88, 2.73, .1383, .1099, .286]}, 452 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 453 | }, 454 | { 455 | 'symbol': 'Ac', 456 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [106755, 19840, 19083, 15871, 5002, 4656, 3909, 3370, 3219, 1269, 1080, 890, 675, 639, 319, 319, 272, 215, 167, 80, 80], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 1.86, 7.33, 10.61, 15.93, 17.53, 22.3, .684, .647, 1.95, 2.02, 2.94]}, 457 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 458 | }, 459 | { 460 | 'symbol': 'Th', 461 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2', '6s', '6p1/2', '6p3/2'], 'be': [109651, 20472, 19693, 16300, 5182, 4830, 4046, 3491, 3332, 1330, 1168, 966.4, 712.1, 675.2, 342.4, 333.1, 290, 229, 182, 92.5, 85.4, 41.4, 24.5, 16.6], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.95, 1.9, 7.46, 10.82, 16.31, 18.81, 23.94, .702, .66, 2.05, 2.15, 3.15, .1625, .1325, .366]}, 462 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 463 | }, 464 | { 465 | 'symbol': 'Pa', 466 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2'], 'be': [112601, 21105, 20314, 16733, 5367, 5001, 4174, 3611, 3442, 1387, 1224, 1007, 743, 708, 371, 360, 310, 232, 232, 94, 94], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.92, 1.74, 7.61, 11.04, 16.47, 20.12, 25.6, .718, .667, 2.13, 2.25, 3.29]}, 467 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 468 | }, 469 | { 470 | 'symbol': 'U', 471 | 'alka': {'trans': ['1s', '2s', '2p1/2', '2p3/2', '3s', '3p1/2', '3p3/2', '3d3/2', '3d5/2', '4s', '4p1/2', '4p3/2', '4d3/2', '4d5/2', '4f5/2', '4f7/2', '5s', '5p1/2', '5p3/2', '5d3/2', '5d5/2', '6s', '6p1/2', '6p3/2'], 'be': [115606, 21757, 20948, 17166, 5548, 5182, 4303, 3728, 3552, 1439, 1271, 1043, 778.3, 736.2, 388.2, 377.4, 321, 257, 192, 102.8, 94.2, 43.9, 26.8, 16.8], 'rsf': [.0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, .0001, 1.9, 1.68, 7.71, 11.25, 17.05, 21.5, 27.36, .732, .674, 2.22, 2.36, 3.46, .1682, .133, .376]}, 472 | 'aes': {'trans': [], 'ke': [], 'rsf': []} 473 | } 474 | ] 475 | -------------------------------------------------------------------------------- /Python/periodictableui.py: -------------------------------------------------------------------------------- 1 | # -*- coding: utf-8 -*- 2 | 3 | # Form implementation generated from reading ui file 'periodictable.ui' 4 | # 5 | # Created by: PyQt5 UI code generator 5.9.2 6 | # 7 | # WARNING! All changes made in this file will be lost! 8 | 9 | from PyQt5 import QtCore, QtGui, QtWidgets 10 | from sys import platform 11 | 12 | class Ui_PeriodicTable(object): 13 | def setupUi(self, PeriodicTable): 14 | PeriodicTable.setObjectName("PeriodicTable") 15 | # adjustable for PT window size # element box size, default 30 16 | if platform == "linux" or platform == "linux2": 17 | box_unit = 38 # linux 18 | platform_scale = 0.85 19 | elif platform == "darwin": 20 | box_unit = 38 # OS X 21 | platform_scale = 0.85 22 | elif platform == "win32": 23 | box_unit = 30 # Windows... 24 | platform_scale = 1 25 | 26 | box_init = 10 # offset at the edges, default 10 27 | box_dxy = box_unit * platform_scale 28 | box_height = box_dxy 29 | box_width = box_dxy / platform_scale 30 | PeriodicTable.resize(int(box_init * 2 + box_dxy * 18), int(box_init * 3 + box_dxy * 9)) 31 | font = QtGui.QFont() 32 | font.setPointSize(int(box_unit / 3)) 33 | font.setWeight(int(box_unit * 2)) 34 | PeriodicTable.setFont(font) 35 | self.Refresh = QtWidgets.QPushButton(PeriodicTable) 36 | self.Refresh.setGeometry(QtCore.QRect(box_init + box_dxy * 4 - 10, box_init, box_width*2+2, box_height)) 37 | self.Refresh.setCheckable(False) 38 | self.Clear = QtWidgets.QPushButton(PeriodicTable) 39 | self.Clear.setGeometry(QtCore.QRect(box_init + box_dxy * 6 + 10, box_init, box_width*2+2, box_height)) 40 | self.Clear.setCheckable(False) 41 | self.ebtnHe = QtWidgets.QPushButton(PeriodicTable) 42 | self.ebtnHe.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init, box_width, box_height)) 43 | self.ebtnHe.setCheckable(True) 44 | self.ebtnHe.setObjectName("ebtnHe") 45 | self.ebtnRa = QtWidgets.QPushButton(PeriodicTable) 46 | self.ebtnRa.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 6, box_width, box_height)) 47 | self.ebtnRa.setCheckable(True) 48 | self.ebtnRa.setObjectName("ebtnRa") 49 | self.ebtnLu = QtWidgets.QPushButton(PeriodicTable) 50 | self.ebtnLu.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init * 2 + box_dxy * 7, box_width, box_height)) 51 | self.ebtnLu.setCheckable(True) 52 | self.ebtnLu.setObjectName("ebtnLu") 53 | self.ebtnGa = QtWidgets.QPushButton(PeriodicTable) 54 | self.ebtnGa.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init + box_dxy * 3, box_width, box_height)) 55 | self.ebtnGa.setCheckable(True) 56 | self.ebtnGa.setObjectName("ebtnGa") 57 | self.ebtnCa = QtWidgets.QPushButton(PeriodicTable) 58 | self.ebtnCa.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 3, box_width, box_height)) 59 | self.ebtnCa.setCheckable(True) 60 | self.ebtnCa.setObjectName("ebtnCa") 61 | self.ebtnAu = QtWidgets.QPushButton(PeriodicTable) 62 | self.ebtnAu.setGeometry(QtCore.QRect(box_init + box_dxy * 10, box_init + box_dxy * 5, box_width, box_height)) 63 | self.ebtnAu.setCheckable(True) 64 | self.ebtnAu.setObjectName("ebtnAu") 65 | self.ebtnLa = QtWidgets.QPushButton(PeriodicTable) 66 | self.ebtnLa.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init * 2 + box_dxy * 7, box_width, box_height)) 67 | self.ebtnLa.setCheckable(True) 68 | self.ebtnLa.setObjectName("ebtnLa") 69 | self.ebtnYb = QtWidgets.QPushButton(PeriodicTable) 70 | self.ebtnYb.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init * 2 + box_dxy * 7, box_width, box_height)) 71 | self.ebtnYb.setCheckable(True) 72 | self.ebtnYb.setObjectName("ebtnYb") 73 | self.ebtnW = QtWidgets.QPushButton(PeriodicTable) 74 | self.ebtnW.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init + box_dxy * 5, box_width, box_height)) 75 | self.ebtnW.setCheckable(True) 76 | self.ebtnW.setObjectName("ebtnW") 77 | self.ebtnBk = QtWidgets.QPushButton(PeriodicTable) 78 | self.ebtnBk.setGeometry(QtCore.QRect(box_init + box_dxy * 11, box_init * 2 + box_dxy * 8, box_width, box_height)) 79 | self.ebtnBk.setCheckable(True) 80 | self.ebtnBk.setObjectName("ebtnBk") 81 | self.ebtnSc = QtWidgets.QPushButton(PeriodicTable) 82 | self.ebtnSc.setGeometry(QtCore.QRect(box_init + box_dxy * 2, box_init + box_dxy * 3, box_width, box_height)) 83 | self.ebtnSc.setCheckable(True) 84 | self.ebtnSc.setObjectName("ebtnSc") 85 | self.ebtnNi = QtWidgets.QPushButton(PeriodicTable) 86 | self.ebtnNi.setGeometry(QtCore.QRect(box_init + box_dxy * 9, box_init + box_dxy * 3, box_width, box_height)) 87 | self.ebtnNi.setCheckable(True) 88 | self.ebtnNi.setObjectName("ebtnNi") 89 | self.ebtnBa = QtWidgets.QPushButton(PeriodicTable) 90 | self.ebtnBa.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 5, box_width, box_height)) 91 | self.ebtnBa.setCheckable(True) 92 | self.ebtnBa.setObjectName("ebtnBa") 93 | self.ebtnBh = QtWidgets.QPushButton(PeriodicTable) 94 | self.ebtnBh.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init + box_dxy * 6, box_width, box_height)) 95 | self.ebtnBh.setCheckable(True) 96 | self.ebtnBh.setObjectName("ebtnBh") 97 | self.ebtnHs = QtWidgets.QPushButton(PeriodicTable) 98 | self.ebtnHs.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init + box_dxy * 6, box_width, box_height)) 99 | self.ebtnHs.setCheckable(True) 100 | self.ebtnHs.setObjectName("ebtnHs") 101 | self.ebtnHf = QtWidgets.QPushButton(PeriodicTable) 102 | self.ebtnHf.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init + box_dxy * 5, box_width, box_height)) 103 | self.ebtnHf.setCheckable(True) 104 | self.ebtnHf.setObjectName("ebtnHf") 105 | self.ebtnPr = QtWidgets.QPushButton(PeriodicTable) 106 | self.ebtnPr.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init * 2 + box_dxy * 7, box_width, box_height)) 107 | self.ebtnPr.setCheckable(True) 108 | self.ebtnPr.setObjectName("ebtnPr") 109 | self.ebtnV = QtWidgets.QPushButton(PeriodicTable) 110 | self.ebtnV.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init + box_dxy * 3, box_width, box_height)) 111 | self.ebtnV.setCheckable(True) 112 | self.ebtnV.setObjectName("ebtnV") 113 | self.ebtnN = QtWidgets.QPushButton(PeriodicTable) 114 | self.ebtnN.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init + box_dxy * 1, box_width, box_height)) 115 | self.ebtnN.setCheckable(True) 116 | self.ebtnN.setObjectName("ebtnN") 117 | self.ebtnFr = QtWidgets.QPushButton(PeriodicTable) 118 | self.ebtnFr.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 6, box_width, box_height)) 119 | self.ebtnFr.setCheckable(True) 120 | self.ebtnFr.setObjectName("ebtnFr") 121 | self.ebtnGd = QtWidgets.QPushButton(PeriodicTable) 122 | self.ebtnGd.setGeometry(QtCore.QRect(box_init + box_dxy * 10, box_init * 2 + box_dxy * 7, box_width, box_height)) 123 | self.ebtnGd.setCheckable(True) 124 | self.ebtnGd.setObjectName("ebtnGd") 125 | self.ebtnO = QtWidgets.QPushButton(PeriodicTable) 126 | self.ebtnO.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init + box_dxy * 1, box_width, box_height)) 127 | self.ebtnO.setCheckable(True) 128 | self.ebtnO.setObjectName("ebtnO") 129 | self.ebtnPt = QtWidgets.QPushButton(PeriodicTable) 130 | self.ebtnPt.setGeometry(QtCore.QRect(box_init + box_dxy * 9, box_init + box_dxy * 5, box_width, box_height)) 131 | self.ebtnPt.setCheckable(True) 132 | self.ebtnPt.setObjectName("ebtnPt") 133 | self.ebtnLi = QtWidgets.QPushButton(PeriodicTable) 134 | self.ebtnLi.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 1, box_width, box_height)) 135 | self.ebtnLi.setCheckable(True) 136 | self.ebtnLi.setObjectName("ebtnLi") 137 | self.ebtnP = QtWidgets.QPushButton(PeriodicTable) 138 | self.ebtnP.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init + box_dxy * 2, box_width, box_height)) 139 | self.ebtnP.setCheckable(True) 140 | self.ebtnP.setObjectName("ebtnP") 141 | self.ebtnXe = QtWidgets.QPushButton(PeriodicTable) 142 | self.ebtnXe.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init + box_dxy * 4, box_width, box_height)) 143 | self.ebtnXe.setCheckable(True) 144 | self.ebtnXe.setObjectName("ebtnXe") 145 | self.ebtnPd = QtWidgets.QPushButton(PeriodicTable) 146 | self.ebtnPd.setGeometry(QtCore.QRect(box_init + box_dxy * 9, box_init + box_dxy * 4, box_width, box_height)) 147 | self.ebtnPd.setCheckable(True) 148 | self.ebtnPd.setObjectName("ebtnPd") 149 | self.ebtnDb = QtWidgets.QPushButton(PeriodicTable) 150 | self.ebtnDb.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init + box_dxy * 6, box_width, box_height)) 151 | self.ebtnDb.setCheckable(True) 152 | self.ebtnDb.setObjectName("ebtnDb") 153 | self.ebtnRb = QtWidgets.QPushButton(PeriodicTable) 154 | self.ebtnRb.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 4, box_width, box_height)) 155 | self.ebtnRb.setCheckable(True) 156 | self.ebtnRb.setObjectName("ebtnRb") 157 | self.ebtnBi = QtWidgets.QPushButton(PeriodicTable) 158 | self.ebtnBi.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init + box_dxy * 5, box_width, box_height)) 159 | self.ebtnBi.setCheckable(True) 160 | self.ebtnBi.setObjectName("ebtnBi") 161 | self.ebtnIn = QtWidgets.QPushButton(PeriodicTable) 162 | self.ebtnIn.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init + box_dxy * 4, box_width, box_height)) 163 | self.ebtnIn.setCheckable(True) 164 | self.ebtnIn.setObjectName("ebtnIn") 165 | self.ebtnS = QtWidgets.QPushButton(PeriodicTable) 166 | self.ebtnS.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init + box_dxy * 2, box_width, box_height)) 167 | self.ebtnS.setCheckable(True) 168 | self.ebtnS.setObjectName("ebtnS") 169 | self.ebtnNd = QtWidgets.QPushButton(PeriodicTable) 170 | self.ebtnNd.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init * 2 + box_dxy * 7, box_width, box_height)) 171 | self.ebtnNd.setCheckable(True) 172 | self.ebtnNd.setObjectName("ebtnNd") 173 | self.ebtnNa = QtWidgets.QPushButton(PeriodicTable) 174 | self.ebtnNa.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 2, box_width, box_height)) 175 | self.ebtnNa.setCheckable(True) 176 | self.ebtnNa.setObjectName("ebtnNa") 177 | self.ebtnIr = QtWidgets.QPushButton(PeriodicTable) 178 | self.ebtnIr.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init + box_dxy * 5, box_width, box_height)) 179 | self.ebtnIr.setCheckable(True) 180 | self.ebtnIr.setObjectName("ebtnIr") 181 | self.ebtnOs = QtWidgets.QPushButton(PeriodicTable) 182 | self.ebtnOs.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init + box_dxy * 5, box_width, box_height)) 183 | self.ebtnOs.setCheckable(True) 184 | self.ebtnOs.setObjectName("ebtnOs") 185 | self.ebtnPu = QtWidgets.QPushButton(PeriodicTable) 186 | self.ebtnPu.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init * 2 + box_dxy * 8, box_width, box_height)) 187 | self.ebtnPu.setCheckable(True) 188 | self.ebtnPu.setObjectName("ebtnPu") 189 | self.ebtnTe = QtWidgets.QPushButton(PeriodicTable) 190 | self.ebtnTe.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init + box_dxy * 4, box_width, box_height)) 191 | self.ebtnTe.setCheckable(True) 192 | self.ebtnTe.setObjectName("ebtnTe") 193 | self.ebtnEs = QtWidgets.QPushButton(PeriodicTable) 194 | self.ebtnEs.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init * 2 + box_dxy * 8, box_width, box_height)) 195 | self.ebtnEs.setCheckable(True) 196 | self.ebtnEs.setObjectName("ebtnEs") 197 | self.ebtnCe = QtWidgets.QPushButton(PeriodicTable) 198 | self.ebtnCe.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init * 2 + box_dxy * 7, box_width, box_height)) 199 | self.ebtnCe.setCheckable(True) 200 | self.ebtnCe.setObjectName("ebtnCe") 201 | self.ebtnB = QtWidgets.QPushButton(PeriodicTable) 202 | self.ebtnB.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init + box_dxy * 1, box_width, box_height)) 203 | self.ebtnB.setCheckable(True) 204 | self.ebtnB.setObjectName("ebtnB") 205 | self.ebtnRe = QtWidgets.QPushButton(PeriodicTable) 206 | self.ebtnRe.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init + box_dxy * 5, box_width, box_height)) 207 | self.ebtnRe.setCheckable(True) 208 | self.ebtnRe.setObjectName("ebtnRe") 209 | self.ebtnCs = QtWidgets.QPushButton(PeriodicTable) 210 | self.ebtnCs.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 5, box_width, box_height)) 211 | self.ebtnCs.setCheckable(True) 212 | self.ebtnCs.setObjectName("ebtnCs") 213 | self.ebtnCd = QtWidgets.QPushButton(PeriodicTable) 214 | self.ebtnCd.setGeometry(QtCore.QRect(box_init + box_dxy * 11, box_init + box_dxy * 4, box_width, box_height)) 215 | self.ebtnCd.setCheckable(True) 216 | self.ebtnCd.setObjectName("ebtnCd") 217 | self.ebtnPb = QtWidgets.QPushButton(PeriodicTable) 218 | self.ebtnPb.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init + box_dxy * 5, box_width, box_height)) 219 | self.ebtnPb.setCheckable(True) 220 | self.ebtnPb.setObjectName("ebtnPb") 221 | self.ebtnRn = QtWidgets.QPushButton(PeriodicTable) 222 | self.ebtnRn.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init + box_dxy * 5, box_width, box_height)) 223 | self.ebtnRn.setCheckable(True) 224 | self.ebtnRn.setObjectName("ebtnRn") 225 | self.ebtnY = QtWidgets.QPushButton(PeriodicTable) 226 | self.ebtnY.setGeometry(QtCore.QRect(box_init + box_dxy * 2, box_init + box_dxy * 4, box_width, box_height)) 227 | self.ebtnY.setCheckable(True) 228 | self.ebtnY.setObjectName("ebtnY") 229 | self.ebtnU = QtWidgets.QPushButton(PeriodicTable) 230 | self.ebtnU.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init * 2 + box_dxy * 8, box_width, box_height)) 231 | self.ebtnU.setCheckable(True) 232 | self.ebtnU.setObjectName("ebtnU") 233 | self.ebtnBr = QtWidgets.QPushButton(PeriodicTable) 234 | self.ebtnBr.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init + box_dxy * 3, box_width, box_height)) 235 | self.ebtnBr.setCheckable(True) 236 | self.ebtnBr.setObjectName("ebtnBr") 237 | self.ebtnC = QtWidgets.QPushButton(PeriodicTable) 238 | self.ebtnC.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init + box_dxy * 1, box_width, box_height)) 239 | self.ebtnC.setCheckable(True) 240 | self.ebtnC.setObjectName("ebtnC") 241 | self.ebtnHo = QtWidgets.QPushButton(PeriodicTable) 242 | self.ebtnHo.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init * 2 + box_dxy * 7, box_width, box_height)) 243 | self.ebtnHo.setCheckable(True) 244 | self.ebtnHo.setObjectName("ebtnHo") 245 | self.ebtnNp = QtWidgets.QPushButton(PeriodicTable) 246 | self.ebtnNp.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init * 2 + box_dxy * 8, box_width, box_height)) 247 | self.ebtnNp.setCheckable(True) 248 | self.ebtnNp.setObjectName("ebtnNp") 249 | self.ebtnEu = QtWidgets.QPushButton(PeriodicTable) 250 | self.ebtnEu.setGeometry(QtCore.QRect(box_init + box_dxy * 9, box_init * 2 + box_dxy * 7, box_width, box_height)) 251 | self.ebtnEu.setCheckable(True) 252 | self.ebtnEu.setObjectName("ebtnEu") 253 | self.ebtnMn = QtWidgets.QPushButton(PeriodicTable) 254 | self.ebtnMn.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init + box_dxy * 3, box_width, box_height)) 255 | self.ebtnMn.setCheckable(True) 256 | self.ebtnMn.setObjectName("ebtnMn") 257 | self.ebtnGe = QtWidgets.QPushButton(PeriodicTable) 258 | self.ebtnGe.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init + box_dxy * 3, box_width, box_height)) 259 | self.ebtnGe.setCheckable(True) 260 | self.ebtnGe.setObjectName("ebtnGe") 261 | self.ebtnAc = QtWidgets.QPushButton(PeriodicTable) 262 | self.ebtnAc.setEnabled(True) 263 | self.ebtnAc.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init * 2 + box_dxy * 8, box_width, box_height)) 264 | self.ebtnAc.setAcceptDrops(False) 265 | self.ebtnAc.setCheckable(True) 266 | self.ebtnAc.setChecked(False) 267 | self.ebtnAc.setAutoDefault(False) 268 | self.ebtnAc.setObjectName("ebtnAc") 269 | self.ebtnAl = QtWidgets.QPushButton(PeriodicTable) 270 | self.ebtnAl.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init + box_dxy * 2, box_width, box_height)) 271 | self.ebtnAl.setCheckable(True) 272 | self.ebtnAl.setObjectName("ebtnAl") 273 | self.ebtnSr = QtWidgets.QPushButton(PeriodicTable) 274 | self.ebtnSr.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 4, box_width, box_height)) 275 | self.ebtnSr.setCheckable(True) 276 | self.ebtnSr.setObjectName("ebtnSr") 277 | self.ebtnPo = QtWidgets.QPushButton(PeriodicTable) 278 | self.ebtnPo.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init + box_dxy * 5, box_width, box_height)) 279 | self.ebtnPo.setCheckable(True) 280 | self.ebtnPo.setObjectName("ebtnPo") 281 | self.ebtnH = QtWidgets.QPushButton(PeriodicTable) 282 | self.ebtnH.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init, box_width, box_height)) 283 | self.ebtnH.setCheckable(True) 284 | self.ebtnH.setObjectName("ebtnH") 285 | self.ebtnMg = QtWidgets.QPushButton(PeriodicTable) 286 | self.ebtnMg.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 2, box_width, box_height)) 287 | self.ebtnMg.setCheckable(True) 288 | self.ebtnMg.setObjectName("ebtnMg") 289 | self.ebtnNb = QtWidgets.QPushButton(PeriodicTable) 290 | self.ebtnNb.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init + box_dxy * 4, box_width, box_height)) 291 | self.ebtnNb.setCheckable(True) 292 | self.ebtnNb.setObjectName("ebtnNb") 293 | self.ebtnSe = QtWidgets.QPushButton(PeriodicTable) 294 | self.ebtnSe.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init + box_dxy * 3, box_width, box_height)) 295 | self.ebtnSe.setCheckable(True) 296 | self.ebtnSe.setObjectName("ebtnSe") 297 | self.ebtnFm = QtWidgets.QPushButton(PeriodicTable) 298 | self.ebtnFm.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init * 2 + box_dxy * 8, box_width, box_height)) 299 | self.ebtnFm.setCheckable(True) 300 | self.ebtnFm.setObjectName("ebtnFm") 301 | self.ebtnRu = QtWidgets.QPushButton(PeriodicTable) 302 | self.ebtnRu.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init + box_dxy * 4, box_width, box_height)) 303 | self.ebtnRu.setCheckable(True) 304 | self.ebtnRu.setObjectName("ebtnRu") 305 | self.ebtnZr = QtWidgets.QPushButton(PeriodicTable) 306 | self.ebtnZr.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init + box_dxy * 4, box_width, box_height)) 307 | self.ebtnZr.setCheckable(True) 308 | self.ebtnZr.setObjectName("ebtnZr") 309 | self.ebtnCm = QtWidgets.QPushButton(PeriodicTable) 310 | self.ebtnCm.setGeometry(QtCore.QRect(box_init + box_dxy * 10, box_init * 2 + box_dxy * 8, box_width, box_height)) 311 | self.ebtnCm.setCheckable(True) 312 | self.ebtnCm.setObjectName("ebtnCm") 313 | self.ebtnAm = QtWidgets.QPushButton(PeriodicTable) 314 | self.ebtnAm.setGeometry(QtCore.QRect(box_init + box_dxy * 9, box_init * 2 + box_dxy * 8, box_width, box_height)) 315 | self.ebtnAm.setCheckable(True) 316 | self.ebtnAm.setObjectName("ebtnAm") 317 | self.ebtnNo = QtWidgets.QPushButton(PeriodicTable) 318 | self.ebtnNo.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init * 2 + box_dxy * 8, box_width, box_height)) 319 | self.ebtnNo.setCheckable(True) 320 | self.ebtnNo.setObjectName("ebtnNo") 321 | self.ebtnMt = QtWidgets.QPushButton(PeriodicTable) 322 | self.ebtnMt.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init + box_dxy * 6, box_width, box_height)) 323 | self.ebtnMt.setCheckable(True) 324 | self.ebtnMt.setObjectName("ebtnMt") 325 | self.ebtnTh = QtWidgets.QPushButton(PeriodicTable) 326 | self.ebtnTh.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init * 2 + box_dxy * 8, box_width, box_height)) 327 | self.ebtnTh.setCheckable(True) 328 | self.ebtnTh.setObjectName("ebtnTh") 329 | self.ebtnK = QtWidgets.QPushButton(PeriodicTable) 330 | self.ebtnK.setGeometry(QtCore.QRect(box_init + box_dxy * 0, box_init + box_dxy * 3, box_width, box_height)) 331 | self.ebtnK.setCheckable(True) 332 | self.ebtnK.setObjectName("ebtnK") 333 | self.ebtnMo = QtWidgets.QPushButton(PeriodicTable) 334 | self.ebtnMo.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init + box_dxy * 4, box_width, box_height)) 335 | self.ebtnMo.setCheckable(True) 336 | self.ebtnMo.setObjectName("ebtnMo") 337 | self.ebtnF = QtWidgets.QPushButton(PeriodicTable) 338 | self.ebtnF.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init + box_dxy * 1, box_width, box_height)) 339 | self.ebtnF.setCheckable(True) 340 | self.ebtnF.setObjectName("ebtnF") 341 | self.ebtnTc = QtWidgets.QPushButton(PeriodicTable) 342 | self.ebtnTc.setGeometry(QtCore.QRect(box_init + box_dxy * 6, box_init + box_dxy * 4, box_width, box_height)) 343 | self.ebtnTc.setCheckable(True) 344 | self.ebtnTc.setObjectName("ebtnTc") 345 | self.ebtnNe = QtWidgets.QPushButton(PeriodicTable) 346 | self.ebtnNe.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init + box_dxy * 1, box_width, box_height)) 347 | self.ebtnNe.setCheckable(True) 348 | self.ebtnNe.setObjectName("ebtnNe") 349 | self.ebtnCo = QtWidgets.QPushButton(PeriodicTable) 350 | self.ebtnCo.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init + box_dxy * 3, box_width, box_height)) 351 | self.ebtnCo.setCheckable(True) 352 | self.ebtnCo.setObjectName("ebtnCo") 353 | self.ebtnMd = QtWidgets.QPushButton(PeriodicTable) 354 | self.ebtnMd.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init * 2 + box_dxy * 8, box_width, box_height)) 355 | self.ebtnMd.setCheckable(True) 356 | self.ebtnMd.setObjectName("ebtnMd") 357 | self.ebtnSb = QtWidgets.QPushButton(PeriodicTable) 358 | self.ebtnSb.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init + box_dxy * 4, box_width, box_height)) 359 | self.ebtnSb.setCheckable(True) 360 | self.ebtnSb.setObjectName("ebtnSb") 361 | self.ebtnTb = QtWidgets.QPushButton(PeriodicTable) 362 | self.ebtnTb.setGeometry(QtCore.QRect(box_init + box_dxy * 11, box_init * 2 + box_dxy * 7, box_width, box_height)) 363 | self.ebtnTb.setCheckable(True) 364 | self.ebtnTb.setObjectName("ebtnTb") 365 | self.ebtnTm = QtWidgets.QPushButton(PeriodicTable) 366 | self.ebtnTm.setGeometry(QtCore.QRect(box_init + box_dxy * 15, box_init * 2 + box_dxy * 7, box_width, box_height)) 367 | self.ebtnTm.setCheckable(True) 368 | self.ebtnTm.setObjectName("ebtnTm") 369 | self.ebtnEr = QtWidgets.QPushButton(PeriodicTable) 370 | self.ebtnEr.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init * 2 + box_dxy * 7, box_width, box_height)) 371 | self.ebtnEr.setCheckable(True) 372 | self.ebtnEr.setObjectName("ebtnEr") 373 | self.ebtnCl = QtWidgets.QPushButton(PeriodicTable) 374 | self.ebtnCl.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init + box_dxy * 2, box_width, box_height)) 375 | self.ebtnCl.setCheckable(True) 376 | self.ebtnCl.setObjectName("ebtnCl") 377 | self.ebtnAt = QtWidgets.QPushButton(PeriodicTable) 378 | self.ebtnAt.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init + box_dxy * 5, box_width, box_height)) 379 | self.ebtnAt.setCheckable(True) 380 | self.ebtnAt.setObjectName("ebtnAt") 381 | self.ebtnCr = QtWidgets.QPushButton(PeriodicTable) 382 | self.ebtnCr.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init + box_dxy * 3, box_width, box_height)) 383 | self.ebtnCr.setCheckable(True) 384 | self.ebtnCr.setObjectName("ebtnCr") 385 | self.ebtnTa = QtWidgets.QPushButton(PeriodicTable) 386 | self.ebtnTa.setGeometry(QtCore.QRect(box_init + box_dxy * 4, box_init + box_dxy * 5, box_width, box_height)) 387 | self.ebtnTa.setCheckable(True) 388 | self.ebtnTa.setObjectName("ebtnTa") 389 | self.ebtnRh = QtWidgets.QPushButton(PeriodicTable) 390 | self.ebtnRh.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init + box_dxy * 4, box_width, box_height)) 391 | self.ebtnRh.setCheckable(True) 392 | self.ebtnRh.setObjectName("ebtnRh") 393 | self.ebtnI = QtWidgets.QPushButton(PeriodicTable) 394 | self.ebtnI.setGeometry(QtCore.QRect(box_init + box_dxy * 16, box_init + box_dxy * 4, box_width, box_height)) 395 | self.ebtnI.setCheckable(True) 396 | self.ebtnI.setObjectName("ebtnI") 397 | self.ebtnTl = QtWidgets.QPushButton(PeriodicTable) 398 | self.ebtnTl.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init + box_dxy * 5, box_width, box_height)) 399 | self.ebtnTl.setCheckable(True) 400 | self.ebtnTl.setObjectName("ebtnTl") 401 | self.ebtnSn = QtWidgets.QPushButton(PeriodicTable) 402 | self.ebtnSn.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init + box_dxy * 4, box_width, box_height)) 403 | self.ebtnSn.setCheckable(True) 404 | self.ebtnSn.setObjectName("ebtnSn") 405 | self.ebtnPa = QtWidgets.QPushButton(PeriodicTable) 406 | self.ebtnPa.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init * 2 + box_dxy * 8, box_width, box_height)) 407 | self.ebtnPa.setCheckable(True) 408 | self.ebtnPa.setObjectName("ebtnPa") 409 | self.ebtnAr = QtWidgets.QPushButton(PeriodicTable) 410 | self.ebtnAr.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init + box_dxy * 2, box_width, box_height)) 411 | self.ebtnAr.setCheckable(True) 412 | self.ebtnAr.setObjectName("ebtnAr") 413 | self.ebtnSi = QtWidgets.QPushButton(PeriodicTable) 414 | self.ebtnSi.setGeometry(QtCore.QRect(box_init + box_dxy * 13, box_init + box_dxy * 2, box_width, box_height)) 415 | self.ebtnSi.setCheckable(True) 416 | self.ebtnSi.setObjectName("ebtnSi") 417 | self.ebtnSm = QtWidgets.QPushButton(PeriodicTable) 418 | self.ebtnSm.setGeometry(QtCore.QRect(box_init + box_dxy * 8, box_init * 2 + box_dxy * 7, box_width, box_height)) 419 | self.ebtnSm.setCheckable(True) 420 | self.ebtnSm.setObjectName("ebtnSm") 421 | self.ebtnFe = QtWidgets.QPushButton(PeriodicTable) 422 | self.ebtnFe.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init + box_dxy * 3, box_width, box_height)) 423 | self.ebtnFe.setCheckable(True) 424 | self.ebtnFe.setObjectName("ebtnFe") 425 | self.ebtnKr = QtWidgets.QPushButton(PeriodicTable) 426 | self.ebtnKr.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init + box_dxy * 3, box_width, box_height)) 427 | self.ebtnKr.setCheckable(True) 428 | self.ebtnKr.setObjectName("ebtnKr") 429 | self.ebtnBe = QtWidgets.QPushButton(PeriodicTable) 430 | self.ebtnBe.setGeometry(QtCore.QRect(box_init + box_dxy * 1, box_init + box_dxy * 1, box_width, box_height)) 431 | self.ebtnBe.setCheckable(True) 432 | self.ebtnBe.setObjectName("ebtnBe") 433 | self.ebtnRf = QtWidgets.QPushButton(PeriodicTable) 434 | self.ebtnRf.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init + box_dxy * 6, box_width, box_height)) 435 | self.ebtnRf.setCheckable(True) 436 | self.ebtnRf.setObjectName("ebtnRf") 437 | self.ebtnLr = QtWidgets.QPushButton(PeriodicTable) 438 | self.ebtnLr.setGeometry(QtCore.QRect(box_init + box_dxy * 17, box_init * 2 + box_dxy * 8, box_width, box_height)) 439 | self.ebtnLr.setCheckable(True) 440 | self.ebtnLr.setObjectName("ebtnLr") 441 | self.ebtnSg = QtWidgets.QPushButton(PeriodicTable) 442 | self.ebtnSg.setGeometry(QtCore.QRect(box_init + box_dxy * 5, box_init + box_dxy * 6, box_width, box_height)) 443 | self.ebtnSg.setCheckable(True) 444 | self.ebtnSg.setObjectName("ebtnSg") 445 | self.ebtnHg = QtWidgets.QPushButton(PeriodicTable) 446 | self.ebtnHg.setGeometry(QtCore.QRect(box_init + box_dxy * 11, box_init + box_dxy * 5, box_width, box_height)) 447 | self.ebtnHg.setCheckable(True) 448 | self.ebtnHg.setObjectName("ebtnHg") 449 | self.ebtnAs = QtWidgets.QPushButton(PeriodicTable) 450 | self.ebtnAs.setGeometry(QtCore.QRect(box_init + box_dxy * 14, box_init + box_dxy * 3, box_width, box_height)) 451 | self.ebtnAs.setCheckable(True) 452 | self.ebtnAs.setObjectName("ebtnAs") 453 | self.ebtnCu = QtWidgets.QPushButton(PeriodicTable) 454 | self.ebtnCu.setGeometry(QtCore.QRect(box_init + box_dxy * 10, box_init + box_dxy * 3, box_width, box_height)) 455 | self.ebtnCu.setCheckable(True) 456 | self.ebtnCu.setObjectName("ebtnCu") 457 | self.ebtnCf = QtWidgets.QPushButton(PeriodicTable) 458 | self.ebtnCf.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init * 2 + box_dxy * 8, box_width, box_height)) 459 | self.ebtnCf.setCheckable(True) 460 | self.ebtnCf.setObjectName("ebtnCf") 461 | self.ebtnTi = QtWidgets.QPushButton(PeriodicTable) 462 | self.ebtnTi.setGeometry(QtCore.QRect(box_init + box_dxy * 3, box_init + box_dxy * 3, box_width, box_height)) 463 | self.ebtnTi.setCheckable(True) 464 | self.ebtnTi.setObjectName("ebtnTi") 465 | self.ebtnDy = QtWidgets.QPushButton(PeriodicTable) 466 | self.ebtnDy.setGeometry(QtCore.QRect(box_init + box_dxy * 12, box_init * 2 + box_dxy * 7, box_width, box_height)) 467 | self.ebtnDy.setCheckable(True) 468 | self.ebtnDy.setObjectName("ebtnDy") 469 | self.ebtnPm = QtWidgets.QPushButton(PeriodicTable) 470 | self.ebtnPm.setGeometry(QtCore.QRect(box_init + box_dxy * 7, box_init * 2 + box_dxy * 7, box_width, box_height)) 471 | self.ebtnPm.setCheckable(True) 472 | self.ebtnPm.setObjectName("ebtnPm") 473 | self.ebtnAg = QtWidgets.QPushButton(PeriodicTable) 474 | self.ebtnAg.setGeometry(QtCore.QRect(box_init + box_dxy * 10, box_init + box_dxy * 4, box_width, box_height)) 475 | self.ebtnAg.setCheckable(True) 476 | self.ebtnAg.setObjectName("ebtnAg") 477 | self.ebtnZn = QtWidgets.QPushButton(PeriodicTable) 478 | self.ebtnZn.setGeometry(QtCore.QRect(box_init + box_dxy * 11, box_init + box_dxy * 3, box_width, box_height)) 479 | self.ebtnZn.setCheckable(True) 480 | self.ebtnZn.setObjectName("ebtnZn") 481 | #self.label_3 = QtWidgets.QLabel(PeriodicTable) 482 | #self.label_3.setGeometry(QtCore.QRect(box_init + box_dxy * 3, 10, 231, 20)) 483 | #font = QtGui.QFont() 484 | #font.setPointSize(9) 485 | #font.setBold(True) 486 | #font.setWeight(75) 487 | #self.label_3.setFont(font) 488 | #self.label_3.setObjectName("label_3") 489 | #self.label_4 = QtWidgets.QLabel(PeriodicTable) 490 | #self.label_4.setGeometry(QtCore.QRect(580, 10, 231, 20)) 491 | #font = QtGui.QFont() 492 | #font.setPointSize(9) 493 | #font.setBold(True) 494 | #font.setWeight(75) 495 | #self.label_4.setFont(font) 496 | #self.label_4.setObjectName("label_4") 497 | #self.ligCheckBox1 = QtWidgets.QCheckBox(PeriodicTable) 498 | #self.ligCheckBox1.setGeometry(QtCore.QRect(570, 73, 21, 17)) 499 | #self.ligCheckBox1.setText("") 500 | #self.ligCheckBox1.setObjectName("ligCheckBox1") 501 | #self.ligFormula1 = QtWidgets.QLineEdit(PeriodicTable) 502 | #self.ligFormula1.setGeometry(QtCore.QRect(590, 71, 61, 20)) 503 | #self.ligFormula1.setObjectName("ligFormula1") 504 | #self.ligMass1 = QtWidgets.QLineEdit(PeriodicTable) 505 | #self.ligMass1.setGeometry(QtCore.QRect(660, 71, 61, 20)) 506 | #self.ligMass1.setReadOnly(True) 507 | #self.ligMass1.setObjectName("ligMass1") 508 | #self.ligClear1 = QtWidgets.QPushButton(PeriodicTable) 509 | #self.ligClear1.setGeometry(QtCore.QRect(740, 70, 21, 23)) 510 | #self.ligClear1.setObjectName("ligClear1") 511 | #self.label_5 = QtWidgets.QLabel(PeriodicTable) 512 | #self.label_5.setGeometry(QtCore.QRect(590, 50, 231, 20)) 513 | #font = QtGui.QFont() 514 | #font.setPointSize(9) 515 | #font.setBold(True) 516 | #font.setWeight(75) 517 | #self.label_5.setFont(font) 518 | #self.label_5.setObjectName("label_5") 519 | #self.label_6 = QtWidgets.QLabel(PeriodicTable) 520 | #self.label_6.setGeometry(QtCore.QRect(660, 50, 231, 20)) 521 | #font = QtGui.QFont() 522 | #font.setPointSize(9) 523 | #font.setBold(True) 524 | #font.setWeight(75) 525 | #self.label_6.setFont(font) 526 | #self.label_6.setObjectName("label_6") 527 | #self.ligClear2 = QtWidgets.QPushButton(PeriodicTable) 528 | #self.ligClear2.setGeometry(QtCore.QRect(740, 109, 21, 23)) 529 | #self.ligClear2.setObjectName("ligClear2") 530 | #self.ligCheckBox2 = QtWidgets.QCheckBox(PeriodicTable) 531 | #self.ligCheckBox2.setGeometry(QtCore.QRect(570, 112, 21, 17)) 532 | #self.ligCheckBox2.setText("") 533 | #self.ligCheckBox2.setObjectName("ligCheckBox2") 534 | #self.ligFormula2 = QtWidgets.QLineEdit(PeriodicTable) 535 | #self.ligFormula2.setGeometry(QtCore.QRect(590, 110, 61, 20)) 536 | #self.ligFormula2.setObjectName("ligFormula2") 537 | #self.ligMass2 = QtWidgets.QLineEdit(PeriodicTable) 538 | #self.ligMass2.setGeometry(QtCore.QRect(660, 110, 61, 20)) 539 | #self.ligMass2.setReadOnly(True) 540 | #self.ligMass2.setObjectName("ligMass2") 541 | #self.ligMass3 = QtWidgets.QLineEdit(PeriodicTable) 542 | #self.ligMass3.setGeometry(QtCore.QRect(660, 150, 61, 20)) 543 | #self.ligMass3.setReadOnly(True) 544 | #self.ligMass3.setObjectName("ligMass3") 545 | #self.ligClear3 = QtWidgets.QPushButton(PeriodicTable) 546 | #self.ligClear3.setGeometry(QtCore.QRect(740, 149, 21, 23)) 547 | #self.ligClear3.setObjectName("ligClear3") 548 | #self.ligCheckBox3 = QtWidgets.QCheckBox(PeriodicTable) 549 | #self.ligCheckBox3.setGeometry(QtCore.QRect(570, 152, 21, 17)) 550 | #self.ligCheckBox3.setText("") 551 | #self.ligCheckBox3.setObjectName("ligCheckBox3") 552 | #self.ligFormula3 = QtWidgets.QLineEdit(PeriodicTable) 553 | #self.ligFormula3.setGeometry(QtCore.QRect(590, 150, 61, 20)) 554 | #self.ligFormula3.setObjectName("ligFormula3") 555 | 556 | self.retranslateUi(PeriodicTable) 557 | QtCore.QMetaObject.connectSlotsByName(PeriodicTable) 558 | 559 | def retranslateUi(self, PeriodicTable): 560 | _translate = QtCore.QCoreApplication.translate 561 | PeriodicTable.setWindowTitle(_translate("PeriodicTable", "PeriodicTable")) 562 | self.Refresh.setText(_translate("PeriodicTable", "Refresh")) 563 | self.Clear.setText(_translate("PeriodicTable", "Clear")) 564 | self.ebtnHe.setText(_translate("PeriodicTable", "He")) 565 | self.ebtnRa.setText(_translate("PeriodicTable", "Ra")) 566 | self.ebtnLu.setText(_translate("PeriodicTable", "Lu")) 567 | self.ebtnGa.setText(_translate("PeriodicTable", "Ga")) 568 | self.ebtnCa.setText(_translate("PeriodicTable", "Ca")) 569 | self.ebtnAu.setText(_translate("PeriodicTable", "Au")) 570 | self.ebtnLa.setText(_translate("PeriodicTable", "La")) 571 | self.ebtnYb.setText(_translate("PeriodicTable", "Yb")) 572 | self.ebtnW.setText(_translate("PeriodicTable", "W")) 573 | self.ebtnBk.setText(_translate("PeriodicTable", "Bk")) 574 | self.ebtnSc.setText(_translate("PeriodicTable", "Sc")) 575 | self.ebtnNi.setText(_translate("PeriodicTable", "Ni")) 576 | self.ebtnBa.setText(_translate("PeriodicTable", "Ba")) 577 | self.ebtnBh.setText(_translate("PeriodicTable", "Bh")) 578 | self.ebtnHs.setText(_translate("PeriodicTable", "Hs")) 579 | self.ebtnHf.setText(_translate("PeriodicTable", "Hf")) 580 | self.ebtnPr.setText(_translate("PeriodicTable", "Pr")) 581 | self.ebtnV.setText(_translate("PeriodicTable", "V")) 582 | self.ebtnN.setText(_translate("PeriodicTable", "N")) 583 | self.ebtnFr.setText(_translate("PeriodicTable", "Fr")) 584 | self.ebtnGd.setText(_translate("PeriodicTable", "Gd")) 585 | self.ebtnO.setText(_translate("PeriodicTable", "O")) 586 | self.ebtnPt.setText(_translate("PeriodicTable", "Pt")) 587 | self.ebtnLi.setText(_translate("PeriodicTable", "Li")) 588 | self.ebtnP.setText(_translate("PeriodicTable", "P")) 589 | self.ebtnXe.setText(_translate("PeriodicTable", "Xe")) 590 | self.ebtnPd.setText(_translate("PeriodicTable", "Pd")) 591 | self.ebtnDb.setText(_translate("PeriodicTable", "Db")) 592 | self.ebtnRb.setText(_translate("PeriodicTable", "Rb")) 593 | self.ebtnBi.setText(_translate("PeriodicTable", "Bi")) 594 | self.ebtnIn.setText(_translate("PeriodicTable", "In")) 595 | self.ebtnS.setText(_translate("PeriodicTable", "S")) 596 | self.ebtnNd.setText(_translate("PeriodicTable", "Nd")) 597 | self.ebtnNa.setText(_translate("PeriodicTable", "Na")) 598 | self.ebtnIr.setText(_translate("PeriodicTable", "Ir")) 599 | self.ebtnOs.setText(_translate("PeriodicTable", "Os")) 600 | self.ebtnPu.setText(_translate("PeriodicTable", "Pu")) 601 | self.ebtnTe.setText(_translate("PeriodicTable", "Te")) 602 | self.ebtnEs.setText(_translate("PeriodicTable", "Es")) 603 | self.ebtnCe.setText(_translate("PeriodicTable", "Ce")) 604 | self.ebtnB.setText(_translate("PeriodicTable", "B")) 605 | self.ebtnRe.setText(_translate("PeriodicTable", "Re")) 606 | self.ebtnCs.setText(_translate("PeriodicTable", "Cs")) 607 | self.ebtnCd.setText(_translate("PeriodicTable", "Cd")) 608 | self.ebtnPb.setText(_translate("PeriodicTable", "Pb")) 609 | self.ebtnRn.setText(_translate("PeriodicTable", "Rn")) 610 | self.ebtnY.setText(_translate("PeriodicTable", "Y")) 611 | self.ebtnU.setText(_translate("PeriodicTable", "U")) 612 | self.ebtnBr.setText(_translate("PeriodicTable", "Br")) 613 | self.ebtnC.setText(_translate("PeriodicTable", "C")) 614 | self.ebtnHo.setText(_translate("PeriodicTable", "Ho")) 615 | self.ebtnNp.setText(_translate("PeriodicTable", "Np")) 616 | self.ebtnEu.setText(_translate("PeriodicTable", "Eu")) 617 | self.ebtnMn.setText(_translate("PeriodicTable", "Mn")) 618 | self.ebtnGe.setText(_translate("PeriodicTable", "Ge")) 619 | self.ebtnAc.setText(_translate("PeriodicTable", "Ac")) 620 | self.ebtnAl.setText(_translate("PeriodicTable", "Al")) 621 | self.ebtnSr.setText(_translate("PeriodicTable", "Sr")) 622 | self.ebtnPo.setText(_translate("PeriodicTable", "Po")) 623 | self.ebtnH.setText(_translate("PeriodicTable", "H")) 624 | self.ebtnMg.setText(_translate("PeriodicTable", "Mg")) 625 | self.ebtnNb.setText(_translate("PeriodicTable", "Nb")) 626 | self.ebtnSe.setText(_translate("PeriodicTable", "Se")) 627 | self.ebtnFm.setText(_translate("PeriodicTable", "Fm")) 628 | self.ebtnRu.setText(_translate("PeriodicTable", "Ru")) 629 | self.ebtnZr.setText(_translate("PeriodicTable", "Zr")) 630 | self.ebtnCm.setText(_translate("PeriodicTable", "Cm")) 631 | self.ebtnAm.setText(_translate("PeriodicTable", "Am")) 632 | self.ebtnNo.setText(_translate("PeriodicTable", "No")) 633 | self.ebtnMt.setText(_translate("PeriodicTable", "Mt")) 634 | self.ebtnTh.setText(_translate("PeriodicTable", "Th")) 635 | self.ebtnK.setText(_translate("PeriodicTable", "K")) 636 | self.ebtnMo.setText(_translate("PeriodicTable", "Mo")) 637 | self.ebtnF.setText(_translate("PeriodicTable", "F")) 638 | self.ebtnTc.setText(_translate("PeriodicTable", "Tc")) 639 | self.ebtnNe.setText(_translate("PeriodicTable", "Ne")) 640 | self.ebtnCo.setText(_translate("PeriodicTable", "Co")) 641 | self.ebtnMd.setText(_translate("PeriodicTable", "Md")) 642 | self.ebtnSb.setText(_translate("PeriodicTable", "Sb")) 643 | self.ebtnTb.setText(_translate("PeriodicTable", "Tb")) 644 | self.ebtnTm.setText(_translate("PeriodicTable", "Tm")) 645 | self.ebtnEr.setText(_translate("PeriodicTable", "Er")) 646 | self.ebtnCl.setText(_translate("PeriodicTable", "Cl")) 647 | self.ebtnAt.setText(_translate("PeriodicTable", "At")) 648 | self.ebtnCr.setText(_translate("PeriodicTable", "Cr")) 649 | self.ebtnTa.setText(_translate("PeriodicTable", "Ta")) 650 | self.ebtnRh.setText(_translate("PeriodicTable", "Rh")) 651 | self.ebtnI.setText(_translate("PeriodicTable", "I")) 652 | self.ebtnTl.setText(_translate("PeriodicTable", "Tl")) 653 | self.ebtnSn.setText(_translate("PeriodicTable", "Sn")) 654 | self.ebtnPa.setText(_translate("PeriodicTable", "Pa")) 655 | self.ebtnAr.setText(_translate("PeriodicTable", "Ar")) 656 | self.ebtnSi.setText(_translate("PeriodicTable", "Si")) 657 | self.ebtnSm.setText(_translate("PeriodicTable", "Sm")) 658 | self.ebtnFe.setText(_translate("PeriodicTable", "Fe")) 659 | self.ebtnKr.setText(_translate("PeriodicTable", "Kr")) 660 | self.ebtnBe.setText(_translate("PeriodicTable", "Be")) 661 | self.ebtnRf.setText(_translate("PeriodicTable", "Rf")) 662 | self.ebtnLr.setText(_translate("PeriodicTable", "Lr")) 663 | self.ebtnSg.setText(_translate("PeriodicTable", "Sg")) 664 | self.ebtnHg.setText(_translate("PeriodicTable", "Hg")) 665 | self.ebtnAs.setText(_translate("PeriodicTable", "As")) 666 | self.ebtnCu.setText(_translate("PeriodicTable", "Cu")) 667 | self.ebtnCf.setText(_translate("PeriodicTable", "Cf")) 668 | self.ebtnTi.setText(_translate("PeriodicTable", "Ti")) 669 | self.ebtnDy.setText(_translate("PeriodicTable", "Dy")) 670 | self.ebtnPm.setText(_translate("PeriodicTable", "Pm")) 671 | self.ebtnAg.setText(_translate("PeriodicTable", "Ag")) 672 | self.ebtnZn.setText(_translate("PeriodicTable", "Zn")) 673 | #self.label_3.setText(_translate("PeriodicTable", "Step 1: Choose Elements To Include")) 674 | #self.label_4.setText(_translate("PeriodicTable", "Optional: Custom Ligand")) 675 | #self.ligClear1.setText(_translate("PeriodicTable", "x")) 676 | #self.label_5.setText(_translate("PeriodicTable", "Formula")) 677 | #self.label_6.setText(_translate("PeriodicTable", "Mass")) 678 | #self.ligClear2.setText(_translate("PeriodicTable", "x")) 679 | #self.ligClear3.setText(_translate("PeriodicTable", "x")) 680 | 681 | 682 | if __name__ == "__main__": 683 | import sys 684 | app = QtWidgets.QApplication(sys.argv) 685 | PeriodicTable = QtWidgets.QWidget() 686 | ui = Ui_PeriodicTable() 687 | ui.setupUi(PeriodicTable) 688 | PeriodicTable.show() 689 | sys.exit(app.exec_()) 690 | 691 | -------------------------------------------------------------------------------- /Example/Mutlipak_vms.npl: -------------------------------------------------------------------------------- 1 | VAMAS Surface Chemical Analysis Standard Data Transfer Format 1988 May 4 2 | Ulvac-Phi,Inc. 3 | PHI VersaProbe II 4 | 5 | 22012013 6 | 3 7 | exported from PHI-MultiPak 8 | 9 | 10 | NORM 11 | REGULAR 12 | 5 13 | 0 14 | 0 15 | 0 16 | 0 17 | 0 18 | 5 19 | Block No.1 20 | Sample ID : 1 21 | 2019 22 | 1 23 | 22 24 | -1 25 | -1 26 | -1 27 | -1 28 | 2 29 | IntensityCalCoeff: 180.254000 0.348000 30 | 0 31 | XPS 32 | Al mono 33 | 1486.60 34 | 24.600000 35 | 2000 36 | 800 37 | 45.000000 38 | 270.000000 39 | FAT 40 | 46.950000 41 | 5.000000 42 | 4.190000 43 | 0 44 | 100.000000 45 | 100.000000 46 | 45.000000 47 | 90.000000 48 | C 49 | 1s 50 | -1 51 | Binding Energy 52 | eV 53 | 305.000000 54 | -0.050000 55 | 1 56 | Intensity 57 | c/s 58 | pulse counting 59 | 0.400000 60 | 1 61 | 0 62 | 9.399414e-003 63 | 90 64 | -0.050000 65 | 0 66 | 601 67 | 1187.500000 68 | 6265.000000 69 | 2047.500000 70 | 2052.500000 71 | 2122.500000 72 | 2075.000000 73 | 2140.000000 74 | 2027.500000 75 | 2095.000000 76 | 1927.500000 77 | 1997.500000 78 | 2097.500000 79 | 2057.500000 80 | 1925.000000 81 | 1862.500000 82 | 2190.000000 83 | 2040.000000 84 | 2052.500000 85 | 2015.000000 86 | 2050.000000 87 | 2055.000000 88 | 2097.500000 89 | 2045.000000 90 | 2062.500000 91 | 2110.000000 92 | 2152.500000 93 | 2040.000000 94 | 2045.000000 95 | 1957.500000 96 | 1990.000000 97 | 2060.000000 98 | 1967.500000 99 | 1980.000000 100 | 2002.500000 101 | 1992.500000 102 | 1982.500000 103 | 2035.000000 104 | 2025.000000 105 | 1972.500000 106 | 2035.000000 107 | 2085.000000 108 | 1947.500000 109 | 2102.500000 110 | 2020.000000 111 | 1922.500000 112 | 1910.000000 113 | 1852.500000 114 | 1965.000000 115 | 2005.000000 116 | 1792.500000 117 | 2042.500000 118 | 1940.000000 119 | 1990.000000 120 | 1920.000000 121 | 2000.000000 122 | 1975.000000 123 | 1930.000000 124 | 1975.000000 125 | 2017.500000 126 | 1860.000000 127 | 2057.500000 128 | 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5160.000000 459 | 5192.500000 460 | 5507.500000 461 | 5395.000000 462 | 5645.000000 463 | 5590.000000 464 | 5635.000000 465 | 5712.500000 466 | 5825.000000 467 | 5837.500000 468 | 5990.000000 469 | 5790.000000 470 | 6215.000000 471 | 6042.500000 472 | 6265.000000 473 | 6102.500000 474 | 6135.000000 475 | 5990.000000 476 | 6067.500000 477 | 5920.000000 478 | 5987.500000 479 | 6257.500000 480 | 5915.000000 481 | 5985.000000 482 | 5687.500000 483 | 5490.000000 484 | 5655.000000 485 | 5452.500000 486 | 5322.500000 487 | 5185.000000 488 | 5122.500000 489 | 5090.000000 490 | 4830.000000 491 | 4657.500000 492 | 4817.500000 493 | 4397.500000 494 | 4270.000000 495 | 4272.500000 496 | 3992.500000 497 | 3972.500000 498 | 3840.000000 499 | 3440.000000 500 | 3492.500000 501 | 3482.500000 502 | 3217.500000 503 | 3252.500000 504 | 2975.000000 505 | 2845.000000 506 | 2707.500000 507 | 2567.500000 508 | 2560.000000 509 | 2392.500000 510 | 2160.000000 511 | 2265.000000 512 | 2092.500000 513 | 2072.500000 514 | 1982.500000 515 | 1987.500000 516 | 1840.000000 517 | 1840.000000 518 | 1835.000000 519 | 1865.000000 520 | 1662.500000 521 | 1715.000000 522 | 1667.500000 523 | 1530.000000 524 | 1477.500000 525 | 1512.500000 526 | 1422.500000 527 | 1465.000000 528 | 1462.500000 529 | 1500.000000 530 | 1362.500000 531 | 1435.000000 532 | 1375.000000 533 | 1477.500000 534 | 1367.500000 535 | 1327.500000 536 | 1390.000000 537 | 1455.000000 538 | 1350.000000 539 | 1400.000000 540 | 1345.000000 541 | 1380.000000 542 | 1267.500000 543 | 1460.000000 544 | 1362.500000 545 | 1447.500000 546 | 1352.500000 547 | 1392.500000 548 | 1302.500000 549 | 1395.000000 550 | 1345.000000 551 | 1395.000000 552 | 1355.000000 553 | 1420.000000 554 | 1385.000000 555 | 1290.000000 556 | 1342.500000 557 | 1457.500000 558 | 1410.000000 559 | 1382.500000 560 | 1352.500000 561 | 1420.000000 562 | 1355.000000 563 | 1310.000000 564 | 1350.000000 565 | 1277.500000 566 | 1367.500000 567 | 1365.000000 568 | 1287.500000 569 | 1337.500000 570 | 1357.500000 571 | 1290.000000 572 | 1407.500000 573 | 1377.500000 574 | 1312.500000 575 | 1345.000000 576 | 1282.500000 577 | 1402.500000 578 | 1392.500000 579 | 1317.500000 580 | 1317.500000 581 | 1285.000000 582 | 1325.000000 583 | 1302.500000 584 | 1350.000000 585 | 1355.000000 586 | 1287.500000 587 | 1417.500000 588 | 1362.500000 589 | 1295.000000 590 | 1275.000000 591 | 1387.500000 592 | 1362.500000 593 | 1275.000000 594 | 1345.000000 595 | 1340.000000 596 | 1367.500000 597 | 1362.500000 598 | 1360.000000 599 | 1322.500000 600 | 1432.500000 601 | 1277.500000 602 | 1420.000000 603 | 1392.500000 604 | 1300.000000 605 | 1302.500000 606 | 1287.500000 607 | 1442.500000 608 | 1385.000000 609 | 1347.500000 610 | 1365.000000 611 | 1325.000000 612 | 1310.000000 613 | 1335.000000 614 | 1397.500000 615 | 1455.000000 616 | 1285.000000 617 | 1375.000000 618 | 1365.000000 619 | 1445.000000 620 | 1350.000000 621 | 1350.000000 622 | 1367.500000 623 | 1257.500000 624 | 1300.000000 625 | 1382.500000 626 | 1405.000000 627 | 1407.500000 628 | 1365.000000 629 | 1325.000000 630 | 1352.500000 631 | 1270.000000 632 | 1242.500000 633 | 1375.000000 634 | 1342.500000 635 | 1327.500000 636 | 1240.000000 637 | 1385.000000 638 | 1257.500000 639 | 1435.000000 640 | 1327.500000 641 | 1477.500000 642 | 1282.500000 643 | 1330.000000 644 | 1307.500000 645 | 1417.500000 646 | 1280.000000 647 | 1282.500000 648 | 1412.500000 649 | 1370.000000 650 | 1187.500000 651 | 1370.000000 652 | 1267.500000 653 | 1345.000000 654 | 1307.500000 655 | 1305.000000 656 | 1390.000000 657 | 1362.500000 658 | 1425.000000 659 | 1335.000000 660 | 1367.500000 661 | 1365.000000 662 | 1285.000000 663 | 1297.500000 664 | 1325.000000 665 | 1225.000000 666 | 1402.500000 667 | 1390.000000 668 | 1317.500000 669 | 1372.500000 670 | Block No.2 671 | Sample ID : 1 672 | 2019 673 | 1 674 | 22 675 | -1 676 | -1 677 | -1 678 | -1 679 | 2 680 | IntensityCalCoeff: 180.254000 0.348000 681 | 0 682 | XPS 683 | Al mono 684 | 1486.60 685 | 24.600000 686 | 2000 687 | 800 688 | 45.000000 689 | 270.000000 690 | FAT 691 | 46.950000 692 | 5.000000 693 | 4.190000 694 | 0 695 | 100.000000 696 | 100.000000 697 | 45.000000 698 | 90.000000 699 | O 700 | 1s 701 | -1 702 | Binding Energy 703 | eV 704 | 555.000000 705 | -0.050000 706 | 1 707 | Intensity 708 | c/s 709 | pulse counting 710 | 0.400000 711 | 1 712 | 0 713 | 9.399414e-003 714 | 90 715 | -0.050000 716 | 0 717 | 601 718 | 2405.000000 719 | 4627.500000 720 | 2952.500000 721 | 2920.000000 722 | 3010.000000 723 | 2855.000000 724 | 2792.500000 725 | 2960.000000 726 | 2832.500000 727 | 2855.000000 728 | 2930.000000 729 | 2947.500000 730 | 2932.500000 731 | 2970.000000 732 | 2955.000000 733 | 2765.000000 734 | 3050.000000 735 | 2945.000000 736 | 3042.500000 737 | 2990.000000 738 | 3007.500000 739 | 2795.000000 740 | 2855.000000 741 | 2812.500000 742 | 2960.000000 743 | 2862.500000 744 | 2782.500000 745 | 2940.000000 746 | 2912.500000 747 | 2910.000000 748 | 2965.000000 749 | 2905.000000 750 | 2822.500000 751 | 2965.000000 752 | 2972.500000 753 | 2910.000000 754 | 2837.500000 755 | 3035.000000 756 | 3022.500000 757 | 2792.500000 758 | 2955.000000 759 | 3030.000000 760 | 3005.000000 761 | 2870.000000 762 | 2942.500000 763 | 3110.000000 764 | 3070.000000 765 | 2847.500000 766 | 3015.000000 767 | 3090.000000 768 | 2777.500000 769 | 2760.000000 770 | 2805.000000 771 | 3020.000000 772 | 2850.000000 773 | 2955.000000 774 | 2830.000000 775 | 2797.500000 776 | 2960.000000 777 | 2825.000000 778 | 2905.000000 779 | 2877.500000 780 | 2935.000000 781 | 2735.000000 782 | 2992.500000 783 | 2862.500000 784 | 2955.000000 785 | 2980.000000 786 | 2970.000000 787 | 2970.000000 788 | 2795.000000 789 | 3000.000000 790 | 2807.500000 791 | 2835.000000 792 | 2905.000000 793 | 2970.000000 794 | 3027.500000 795 | 2832.500000 796 | 2902.500000 797 | 3012.500000 798 | 2760.000000 799 | 2860.000000 800 | 2812.500000 801 | 2897.500000 802 | 2867.500000 803 | 2810.000000 804 | 2807.500000 805 | 2872.500000 806 | 2855.000000 807 | 2770.000000 808 | 2952.500000 809 | 2777.500000 810 | 3035.000000 811 | 3032.500000 812 | 2830.000000 813 | 2817.500000 814 | 2890.000000 815 | 2860.000000 816 | 2777.500000 817 | 2840.000000 818 | 2955.000000 819 | 2930.000000 820 | 2800.000000 821 | 2810.000000 822 | 2727.500000 823 | 2880.000000 824 | 2795.000000 825 | 2850.000000 826 | 2810.000000 827 | 2947.500000 828 | 2712.500000 829 | 2920.000000 830 | 2927.500000 831 | 2880.000000 832 | 2792.500000 833 | 2797.500000 834 | 2735.000000 835 | 2880.000000 836 | 2822.500000 837 | 2780.000000 838 | 2917.500000 839 | 2787.500000 840 | 2802.500000 841 | 2860.000000 842 | 2897.500000 843 | 2870.000000 844 | 2900.000000 845 | 2945.000000 846 | 2835.000000 847 | 2940.000000 848 | 2742.500000 849 | 2772.500000 850 | 2930.000000 851 | 2922.500000 852 | 2887.500000 853 | 2722.500000 854 | 2587.500000 855 | 2900.000000 856 | 2752.500000 857 | 3050.000000 858 | 2690.000000 859 | 2935.000000 860 | 2962.500000 861 | 2872.500000 862 | 2842.500000 863 | 2915.000000 864 | 2735.000000 865 | 2947.500000 866 | 2867.500000 867 | 2982.500000 868 | 2847.500000 869 | 2817.500000 870 | 2632.500000 871 | 2882.500000 872 | 2850.000000 873 | 2805.000000 874 | 2920.000000 875 | 2882.500000 876 | 2835.000000 877 | 2720.000000 878 | 2877.500000 879 | 2987.500000 880 | 2912.500000 881 | 2827.500000 882 | 2787.500000 883 | 2862.500000 884 | 2787.500000 885 | 2842.500000 886 | 2897.500000 887 | 2977.500000 888 | 2675.000000 889 | 2777.500000 890 | 2952.500000 891 | 2972.500000 892 | 2877.500000 893 | 2880.000000 894 | 2905.000000 895 | 2810.000000 896 | 2910.000000 897 | 2777.500000 898 | 2715.000000 899 | 2857.500000 900 | 2782.500000 901 | 2887.500000 902 | 2737.500000 903 | 2890.000000 904 | 2890.000000 905 | 2752.500000 906 | 2905.000000 907 | 2702.500000 908 | 2940.000000 909 | 2845.000000 910 | 2800.000000 911 | 2910.000000 912 | 3015.000000 913 | 2770.000000 914 | 2867.500000 915 | 2687.500000 916 | 2775.000000 917 | 2835.000000 918 | 2760.000000 919 | 2777.500000 920 | 2812.500000 921 | 2817.500000 922 | 2707.500000 923 | 2615.000000 924 | 2792.500000 925 | 2815.000000 926 | 2882.500000 927 | 2817.500000 928 | 2822.500000 929 | 2650.000000 930 | 2695.000000 931 | 2657.500000 932 | 2680.000000 933 | 2747.500000 934 | 2652.500000 935 | 2857.500000 936 | 2767.500000 937 | 2980.000000 938 | 2760.000000 939 | 2677.500000 940 | 2960.000000 941 | 2837.500000 942 | 2817.500000 943 | 2640.000000 944 | 2760.000000 945 | 2722.500000 946 | 2655.000000 947 | 2662.500000 948 | 2845.000000 949 | 2882.500000 950 | 2802.500000 951 | 2680.000000 952 | 2732.500000 953 | 2772.500000 954 | 2757.500000 955 | 2707.500000 956 | 2770.000000 957 | 2792.500000 958 | 2790.000000 959 | 2750.000000 960 | 2720.000000 961 | 2607.500000 962 | 2715.000000 963 | 2810.000000 964 | 2725.000000 965 | 2810.000000 966 | 2662.500000 967 | 2547.500000 968 | 2825.000000 969 | 2817.500000 970 | 2575.000000 971 | 2860.000000 972 | 2667.500000 973 | 2750.000000 974 | 2837.500000 975 | 2815.000000 976 | 2717.500000 977 | 2707.500000 978 | 2835.000000 979 | 2827.500000 980 | 2855.000000 981 | 2712.500000 982 | 2770.000000 983 | 2812.500000 984 | 2720.000000 985 | 2695.000000 986 | 2815.000000 987 | 2812.500000 988 | 2692.500000 989 | 2657.500000 990 | 2897.500000 991 | 2715.000000 992 | 2777.500000 993 | 2642.500000 994 | 2717.500000 995 | 2685.000000 996 | 2695.000000 997 | 2767.500000 998 | 2707.500000 999 | 2617.500000 1000 | 2740.000000 1001 | 2645.000000 1002 | 2690.000000 1003 | 2732.500000 1004 | 2670.000000 1005 | 2795.000000 1006 | 2707.500000 1007 | 2737.500000 1008 | 2835.000000 1009 | 2590.000000 1010 | 2760.000000 1011 | 2610.000000 1012 | 2712.500000 1013 | 2665.000000 1014 | 2770.000000 1015 | 2820.000000 1016 | 2675.000000 1017 | 2685.000000 1018 | 2795.000000 1019 | 2732.500000 1020 | 2662.500000 1021 | 2577.500000 1022 | 2770.000000 1023 | 2632.500000 1024 | 2792.500000 1025 | 2652.500000 1026 | 2705.000000 1027 | 2695.000000 1028 | 2747.500000 1029 | 2700.000000 1030 | 2722.500000 1031 | 2642.500000 1032 | 2642.500000 1033 | 2652.500000 1034 | 2797.500000 1035 | 2662.500000 1036 | 2832.500000 1037 | 2822.500000 1038 | 2715.000000 1039 | 2692.500000 1040 | 2825.000000 1041 | 2690.000000 1042 | 2770.000000 1043 | 2770.000000 1044 | 2802.500000 1045 | 2705.000000 1046 | 2687.500000 1047 | 2647.500000 1048 | 2755.000000 1049 | 2692.500000 1050 | 2767.500000 1051 | 2775.000000 1052 | 2687.500000 1053 | 2857.500000 1054 | 2600.000000 1055 | 2735.000000 1056 | 2807.500000 1057 | 2762.500000 1058 | 2667.500000 1059 | 2642.500000 1060 | 2735.000000 1061 | 2795.000000 1062 | 2687.500000 1063 | 2717.500000 1064 | 2770.000000 1065 | 2712.500000 1066 | 2812.500000 1067 | 2667.500000 1068 | 2797.500000 1069 | 2762.500000 1070 | 2835.000000 1071 | 2900.000000 1072 | 2985.000000 1073 | 2727.500000 1074 | 2812.500000 1075 | 2730.000000 1076 | 2752.500000 1077 | 2755.000000 1078 | 2817.500000 1079 | 2707.500000 1080 | 2787.500000 1081 | 2670.000000 1082 | 2742.500000 1083 | 2872.500000 1084 | 2670.000000 1085 | 2775.000000 1086 | 2657.500000 1087 | 2695.000000 1088 | 2772.500000 1089 | 2855.000000 1090 | 2680.000000 1091 | 2670.000000 1092 | 2697.500000 1093 | 2867.500000 1094 | 2672.500000 1095 | 2647.500000 1096 | 2682.500000 1097 | 2757.500000 1098 | 2700.000000 1099 | 2725.000000 1100 | 2792.500000 1101 | 2680.000000 1102 | 2722.500000 1103 | 2665.000000 1104 | 2690.000000 1105 | 2817.500000 1106 | 2910.000000 1107 | 2785.000000 1108 | 2730.000000 1109 | 2752.500000 1110 | 2867.500000 1111 | 2537.500000 1112 | 2912.500000 1113 | 2697.500000 1114 | 2722.500000 1115 | 2747.500000 1116 | 2787.500000 1117 | 2957.500000 1118 | 2722.500000 1119 | 2817.500000 1120 | 2925.000000 1121 | 2792.500000 1122 | 2782.500000 1123 | 2832.500000 1124 | 2750.000000 1125 | 2757.500000 1126 | 2942.500000 1127 | 3017.500000 1128 | 2765.000000 1129 | 2760.000000 1130 | 2927.500000 1131 | 2835.000000 1132 | 3017.500000 1133 | 2997.500000 1134 | 2930.000000 1135 | 3140.000000 1136 | 3130.000000 1137 | 3030.000000 1138 | 3012.500000 1139 | 3107.500000 1140 | 3227.500000 1141 | 3192.500000 1142 | 3120.000000 1143 | 3157.500000 1144 | 3375.000000 1145 | 3385.000000 1146 | 3475.000000 1147 | 3537.500000 1148 | 3470.000000 1149 | 3312.500000 1150 | 3727.500000 1151 | 3672.500000 1152 | 3725.000000 1153 | 3462.500000 1154 | 3797.500000 1155 | 3860.000000 1156 | 3675.000000 1157 | 3927.500000 1158 | 3902.500000 1159 | 3852.500000 1160 | 3752.500000 1161 | 4057.500000 1162 | 3922.500000 1163 | 4012.500000 1164 | 4282.500000 1165 | 4165.000000 1166 | 4167.500000 1167 | 4107.500000 1168 | 4282.500000 1169 | 4337.500000 1170 | 4330.000000 1171 | 4337.500000 1172 | 4430.000000 1173 | 4317.500000 1174 | 4262.500000 1175 | 4300.000000 1176 | 4522.500000 1177 | 4187.500000 1178 | 4372.500000 1179 | 4550.000000 1180 | 4525.000000 1181 | 4495.000000 1182 | 4475.000000 1183 | 4505.000000 1184 | 4512.500000 1185 | 4430.000000 1186 | 4382.500000 1187 | 4455.000000 1188 | 4627.500000 1189 | 4507.500000 1190 | 4475.000000 1191 | 4287.500000 1192 | 4322.500000 1193 | 4362.500000 1194 | 4360.000000 1195 | 4212.500000 1196 | 4207.500000 1197 | 4260.000000 1198 | 4112.500000 1199 | 4237.500000 1200 | 4267.500000 1201 | 4072.500000 1202 | 4260.000000 1203 | 4007.500000 1204 | 3990.000000 1205 | 3877.500000 1206 | 4047.500000 1207 | 3857.500000 1208 | 4065.000000 1209 | 3890.000000 1210 | 3962.500000 1211 | 3715.000000 1212 | 3815.000000 1213 | 3570.000000 1214 | 3597.500000 1215 | 3690.000000 1216 | 3662.500000 1217 | 3627.500000 1218 | 3510.000000 1219 | 3420.000000 1220 | 3487.500000 1221 | 3325.000000 1222 | 3370.000000 1223 | 3512.500000 1224 | 3312.500000 1225 | 3307.500000 1226 | 3270.000000 1227 | 3132.500000 1228 | 3385.000000 1229 | 3235.000000 1230 | 3047.500000 1231 | 3140.000000 1232 | 3022.500000 1233 | 3072.500000 1234 | 3040.000000 1235 | 2880.000000 1236 | 2877.500000 1237 | 2797.500000 1238 | 2832.500000 1239 | 2965.000000 1240 | 2865.000000 1241 | 2777.500000 1242 | 2940.000000 1243 | 2767.500000 1244 | 2855.000000 1245 | 2690.000000 1246 | 2690.000000 1247 | 2840.000000 1248 | 2787.500000 1249 | 2705.000000 1250 | 2687.500000 1251 | 2665.000000 1252 | 2730.000000 1253 | 2732.500000 1254 | 2620.000000 1255 | 2745.000000 1256 | 2722.500000 1257 | 2740.000000 1258 | 2625.000000 1259 | 2617.500000 1260 | 2727.500000 1261 | 2692.500000 1262 | 2667.500000 1263 | 2655.000000 1264 | 2707.500000 1265 | 2597.500000 1266 | 2600.000000 1267 | 2580.000000 1268 | 2507.500000 1269 | 2607.500000 1270 | 2517.500000 1271 | 2665.000000 1272 | 2612.500000 1273 | 2770.000000 1274 | 2620.000000 1275 | 2540.000000 1276 | 2545.000000 1277 | 2565.000000 1278 | 2457.500000 1279 | 2700.000000 1280 | 2627.500000 1281 | 2465.000000 1282 | 2542.500000 1283 | 2622.500000 1284 | 2700.000000 1285 | 2545.000000 1286 | 2527.500000 1287 | 2710.000000 1288 | 2567.500000 1289 | 2567.500000 1290 | 2672.500000 1291 | 2652.500000 1292 | 2560.000000 1293 | 2662.500000 1294 | 2625.000000 1295 | 2582.500000 1296 | 2707.500000 1297 | 2697.500000 1298 | 2532.500000 1299 | 2555.000000 1300 | 2465.000000 1301 | 2580.000000 1302 | 2577.500000 1303 | 2742.500000 1304 | 2650.000000 1305 | 2715.000000 1306 | 2785.000000 1307 | 2637.500000 1308 | 2487.500000 1309 | 2545.000000 1310 | 2617.500000 1311 | 2747.500000 1312 | 2752.500000 1313 | 2520.000000 1314 | 2625.000000 1315 | 2697.500000 1316 | 2612.500000 1317 | 2595.000000 1318 | 2405.000000 1319 | 2687.500000 1320 | 2552.500000 1321 | Block No.3 1322 | Sample ID : 1 1323 | 2019 1324 | 1 1325 | 22 1326 | -1 1327 | -1 1328 | -1 1329 | -1 1330 | 2 1331 | IntensityCalCoeff: 180.254000 0.348000 1332 | 0 1333 | XPS 1334 | Al mono 1335 | 1486.60 1336 | 24.600000 1337 | 2000 1338 | 800 1339 | 45.000000 1340 | 270.000000 1341 | FAT 1342 | 46.950000 1343 | 5.000000 1344 | 4.190000 1345 | 0 1346 | 100.000000 1347 | 100.000000 1348 | 45.000000 1349 | 90.000000 1350 | S 1351 | 2p 1352 | -1 1353 | Binding Energy 1354 | eV 1355 | 180.000000 1356 | -0.050000 1357 | 1 1358 | Intensity 1359 | c/s 1360 | pulse counting 1361 | 0.800000 1362 | 1 1363 | 0 1364 | 9.399414e-003 1365 | 90 1366 | -0.050000 1367 | 0 1368 | 501 1369 | 213.750000 1370 | 2025.000000 1371 | 528.750000 1372 | 542.500000 1373 | 515.000000 1374 | 513.750000 1375 | 515.000000 1376 | 492.500000 1377 | 515.000000 1378 | 476.250000 1379 | 507.500000 1380 | 532.500000 1381 | 492.500000 1382 | 497.500000 1383 | 480.000000 1384 | 498.750000 1385 | 513.750000 1386 | 503.750000 1387 | 506.250000 1388 | 483.750000 1389 | 496.250000 1390 | 435.000000 1391 | 506.250000 1392 | 501.250000 1393 | 456.250000 1394 | 507.500000 1395 | 498.750000 1396 | 480.000000 1397 | 468.750000 1398 | 445.000000 1399 | 452.500000 1400 | 518.750000 1401 | 467.500000 1402 | 495.000000 1403 | 492.500000 1404 | 441.250000 1405 | 468.750000 1406 | 463.750000 1407 | 493.750000 1408 | 487.500000 1409 | 447.500000 1410 | 481.250000 1411 | 446.250000 1412 | 472.500000 1413 | 520.000000 1414 | 480.000000 1415 | 450.000000 1416 | 418.750000 1417 | 420.000000 1418 | 451.250000 1419 | 461.250000 1420 | 471.250000 1421 | 438.750000 1422 | 455.000000 1423 | 460.000000 1424 | 492.500000 1425 | 462.500000 1426 | 456.250000 1427 | 457.500000 1428 | 446.250000 1429 | 466.250000 1430 | 411.250000 1431 | 446.250000 1432 | 493.750000 1433 | 470.000000 1434 | 436.250000 1435 | 427.500000 1436 | 438.750000 1437 | 427.500000 1438 | 446.250000 1439 | 445.000000 1440 | 472.500000 1441 | 412.500000 1442 | 433.750000 1443 | 451.250000 1444 | 468.750000 1445 | 445.000000 1446 | 398.750000 1447 | 451.250000 1448 | 441.250000 1449 | 458.750000 1450 | 451.250000 1451 | 430.000000 1452 | 402.500000 1453 | 416.250000 1454 | 420.000000 1455 | 456.250000 1456 | 395.000000 1457 | 445.000000 1458 | 380.000000 1459 | 418.750000 1460 | 415.000000 1461 | 450.000000 1462 | 425.000000 1463 | 415.000000 1464 | 435.000000 1465 | 427.500000 1466 | 442.500000 1467 | 460.000000 1468 | 455.000000 1469 | 397.500000 1470 | 406.250000 1471 | 403.750000 1472 | 470.000000 1473 | 430.000000 1474 | 455.000000 1475 | 461.250000 1476 | 407.500000 1477 | 442.500000 1478 | 472.500000 1479 | 456.250000 1480 | 408.750000 1481 | 448.750000 1482 | 392.500000 1483 | 448.750000 1484 | 417.500000 1485 | 412.500000 1486 | 442.500000 1487 | 436.250000 1488 | 428.750000 1489 | 432.500000 1490 | 470.000000 1491 | 475.000000 1492 | 405.000000 1493 | 436.250000 1494 | 425.000000 1495 | 450.000000 1496 | 431.250000 1497 | 435.000000 1498 | 431.250000 1499 | 426.250000 1500 | 457.500000 1501 | 421.250000 1502 | 457.500000 1503 | 457.500000 1504 | 463.750000 1505 | 432.500000 1506 | 438.750000 1507 | 426.250000 1508 | 443.750000 1509 | 433.750000 1510 | 416.250000 1511 | 451.250000 1512 | 446.250000 1513 | 468.750000 1514 | 431.250000 1515 | 406.250000 1516 | 438.750000 1517 | 443.750000 1518 | 438.750000 1519 | 415.000000 1520 | 423.750000 1521 | 443.750000 1522 | 421.250000 1523 | 453.750000 1524 | 421.250000 1525 | 448.750000 1526 | 418.750000 1527 | 445.000000 1528 | 447.500000 1529 | 427.500000 1530 | 451.250000 1531 | 445.000000 1532 | 411.250000 1533 | 461.250000 1534 | 442.500000 1535 | 397.500000 1536 | 422.500000 1537 | 465.000000 1538 | 432.500000 1539 | 411.250000 1540 | 452.500000 1541 | 467.500000 1542 | 467.500000 1543 | 451.250000 1544 | 468.750000 1545 | 423.750000 1546 | 457.500000 1547 | 492.500000 1548 | 467.500000 1549 | 455.000000 1550 | 481.250000 1551 | 446.250000 1552 | 457.500000 1553 | 461.250000 1554 | 455.000000 1555 | 473.750000 1556 | 428.750000 1557 | 432.500000 1558 | 422.500000 1559 | 472.500000 1560 | 432.500000 1561 | 423.750000 1562 | 453.750000 1563 | 511.250000 1564 | 430.000000 1565 | 477.500000 1566 | 442.500000 1567 | 473.750000 1568 | 490.000000 1569 | 427.500000 1570 | 453.750000 1571 | 435.000000 1572 | 480.000000 1573 | 448.750000 1574 | 472.500000 1575 | 451.250000 1576 | 505.000000 1577 | 455.000000 1578 | 460.000000 1579 | 412.500000 1580 | 470.000000 1581 | 460.000000 1582 | 470.000000 1583 | 422.500000 1584 | 460.000000 1585 | 455.000000 1586 | 511.250000 1587 | 467.500000 1588 | 435.000000 1589 | 433.750000 1590 | 472.500000 1591 | 482.500000 1592 | 450.000000 1593 | 436.250000 1594 | 446.250000 1595 | 443.750000 1596 | 501.250000 1597 | 452.500000 1598 | 478.750000 1599 | 450.000000 1600 | 482.500000 1601 | 496.250000 1602 | 433.750000 1603 | 461.250000 1604 | 437.500000 1605 | 488.750000 1606 | 456.250000 1607 | 467.500000 1608 | 460.000000 1609 | 511.250000 1610 | 488.750000 1611 | 507.500000 1612 | 442.500000 1613 | 452.500000 1614 | 502.500000 1615 | 467.500000 1616 | 475.000000 1617 | 468.750000 1618 | 446.250000 1619 | 540.000000 1620 | 453.750000 1621 | 468.750000 1622 | 482.500000 1623 | 478.750000 1624 | 456.250000 1625 | 485.000000 1626 | 450.000000 1627 | 463.750000 1628 | 460.000000 1629 | 482.500000 1630 | 461.250000 1631 | 505.000000 1632 | 490.000000 1633 | 450.000000 1634 | 433.750000 1635 | 473.750000 1636 | 468.750000 1637 | 492.500000 1638 | 402.500000 1639 | 487.500000 1640 | 466.250000 1641 | 466.250000 1642 | 457.500000 1643 | 438.750000 1644 | 437.500000 1645 | 452.500000 1646 | 436.250000 1647 | 430.000000 1648 | 456.250000 1649 | 442.500000 1650 | 447.500000 1651 | 435.000000 1652 | 470.000000 1653 | 470.000000 1654 | 460.000000 1655 | 442.500000 1656 | 458.750000 1657 | 475.000000 1658 | 465.000000 1659 | 432.500000 1660 | 442.500000 1661 | 437.500000 1662 | 475.000000 1663 | 452.500000 1664 | 450.000000 1665 | 456.250000 1666 | 502.500000 1667 | 497.500000 1668 | 490.000000 1669 | 493.750000 1670 | 481.250000 1671 | 515.000000 1672 | 513.750000 1673 | 485.000000 1674 | 522.500000 1675 | 516.250000 1676 | 527.500000 1677 | 491.250000 1678 | 555.000000 1679 | 490.000000 1680 | 537.500000 1681 | 545.000000 1682 | 538.750000 1683 | 567.500000 1684 | 596.250000 1685 | 558.750000 1686 | 626.250000 1687 | 577.500000 1688 | 573.750000 1689 | 562.500000 1690 | 598.750000 1691 | 670.000000 1692 | 686.250000 1693 | 628.750000 1694 | 692.500000 1695 | 675.000000 1696 | 683.750000 1697 | 712.500000 1698 | 728.750000 1699 | 731.250000 1700 | 743.750000 1701 | 737.500000 1702 | 760.000000 1703 | 855.000000 1704 | 798.750000 1705 | 882.500000 1706 | 951.250000 1707 | 858.750000 1708 | 966.250000 1709 | 971.250000 1710 | 958.750000 1711 | 996.250000 1712 | 1085.000000 1713 | 1166.250000 1714 | 1168.750000 1715 | 1146.250000 1716 | 1322.500000 1717 | 1302.500000 1718 | 1333.750000 1719 | 1308.750000 1720 | 1393.750000 1721 | 1441.250000 1722 | 1360.000000 1723 | 1458.750000 1724 | 1382.500000 1725 | 1405.000000 1726 | 1491.250000 1727 | 1506.250000 1728 | 1472.500000 1729 | 1621.250000 1730 | 1645.000000 1731 | 1663.750000 1732 | 1691.250000 1733 | 1682.500000 1734 | 1756.250000 1735 | 1760.000000 1736 | 1806.250000 1737 | 1800.000000 1738 | 1812.500000 1739 | 1921.250000 1740 | 1913.750000 1741 | 1910.000000 1742 | 2002.500000 1743 | 2025.000000 1744 | 1878.750000 1745 | 1848.750000 1746 | 1915.000000 1747 | 1877.500000 1748 | 1925.000000 1749 | 1907.500000 1750 | 1837.500000 1751 | 1731.250000 1752 | 1665.000000 1753 | 1718.750000 1754 | 1697.500000 1755 | 1665.000000 1756 | 1626.250000 1757 | 1563.750000 1758 | 1532.500000 1759 | 1482.500000 1760 | 1382.500000 1761 | 1320.000000 1762 | 1258.750000 1763 | 1328.750000 1764 | 1176.250000 1765 | 1175.000000 1766 | 1096.250000 1767 | 1076.250000 1768 | 1033.750000 1769 | 960.000000 1770 | 890.000000 1771 | 931.250000 1772 | 853.750000 1773 | 812.500000 1774 | 776.250000 1775 | 833.750000 1776 | 690.000000 1777 | 663.750000 1778 | 698.750000 1779 | 682.500000 1780 | 593.750000 1781 | 506.250000 1782 | 512.500000 1783 | 523.750000 1784 | 478.750000 1785 | 425.000000 1786 | 426.250000 1787 | 465.000000 1788 | 417.500000 1789 | 372.500000 1790 | 382.500000 1791 | 371.250000 1792 | 343.750000 1793 | 332.500000 1794 | 350.000000 1795 | 307.500000 1796 | 371.250000 1797 | 311.250000 1798 | 293.750000 1799 | 327.500000 1800 | 270.000000 1801 | 287.500000 1802 | 307.500000 1803 | 271.250000 1804 | 293.750000 1805 | 263.750000 1806 | 257.500000 1807 | 326.250000 1808 | 267.500000 1809 | 256.250000 1810 | 272.500000 1811 | 295.000000 1812 | 291.250000 1813 | 258.750000 1814 | 265.000000 1815 | 287.500000 1816 | 253.750000 1817 | 248.750000 1818 | 255.000000 1819 | 248.750000 1820 | 282.500000 1821 | 246.250000 1822 | 257.500000 1823 | 225.000000 1824 | 262.500000 1825 | 255.000000 1826 | 267.500000 1827 | 238.750000 1828 | 263.750000 1829 | 247.500000 1830 | 253.750000 1831 | 260.000000 1832 | 247.500000 1833 | 247.500000 1834 | 267.500000 1835 | 247.500000 1836 | 245.000000 1837 | 260.000000 1838 | 248.750000 1839 | 255.000000 1840 | 221.250000 1841 | 246.250000 1842 | 275.000000 1843 | 242.500000 1844 | 265.000000 1845 | 232.500000 1846 | 260.000000 1847 | 257.500000 1848 | 223.750000 1849 | 256.250000 1850 | 243.750000 1851 | 232.500000 1852 | 235.000000 1853 | 250.000000 1854 | 235.000000 1855 | 246.250000 1856 | 248.750000 1857 | 237.500000 1858 | 246.250000 1859 | 253.750000 1860 | 256.250000 1861 | 245.000000 1862 | 238.750000 1863 | 233.750000 1864 | 256.250000 1865 | 252.500000 1866 | 213.750000 1867 | 250.000000 1868 | 248.750000 1869 | 233.750000 1870 | 251.250000 1871 | 237.500000 1872 | Block No.4 1873 | Sample ID : 1 1874 | 2019 1875 | 1 1876 | 22 1877 | -1 1878 | -1 1879 | -1 1880 | -1 1881 | 2 1882 | IntensityCalCoeff: 180.254000 0.348000 1883 | 0 1884 | XPS 1885 | Al mono 1886 | 1486.60 1887 | 24.600000 1888 | 2000 1889 | 800 1890 | 45.000000 1891 | 270.000000 1892 | FAT 1893 | 46.950000 1894 | 5.000000 1895 | 4.190000 1896 | 0 1897 | 100.000000 1898 | 100.000000 1899 | 45.000000 1900 | 90.000000 1901 | N 1902 | 1s 1903 | -1 1904 | Binding Energy 1905 | eV 1906 | 410.000000 1907 | -0.050000 1908 | 1 1909 | Intensity 1910 | c/s 1911 | pulse counting 1912 | 0.800000 1913 | 1 1914 | 0 1915 | 9.399414e-003 1916 | 90 1917 | -0.050000 1918 | 0 1919 | 401 1920 | 2038.750000 1921 | 3680.000000 1922 | 2805.000000 1923 | 2766.250000 1924 | 2817.500000 1925 | 2663.750000 1926 | 2777.500000 1927 | 2716.250000 1928 | 2812.500000 1929 | 2692.500000 1930 | 2723.750000 1931 | 2602.500000 1932 | 2696.250000 1933 | 2627.500000 1934 | 2705.000000 1935 | 2638.750000 1936 | 2635.000000 1937 | 2720.000000 1938 | 2590.000000 1939 | 2511.250000 1940 | 2628.750000 1941 | 2577.500000 1942 | 2628.750000 1943 | 2605.000000 1944 | 2706.250000 1945 | 2560.000000 1946 | 2442.500000 1947 | 2668.750000 1948 | 2566.250000 1949 | 2515.000000 1950 | 2510.000000 1951 | 2585.000000 1952 | 2617.500000 1953 | 2572.500000 1954 | 2493.750000 1955 | 2521.250000 1956 | 2528.750000 1957 | 2495.000000 1958 | 2553.750000 1959 | 2552.500000 1960 | 2591.250000 1961 | 2443.750000 1962 | 2443.750000 1963 | 2423.750000 1964 | 2572.500000 1965 | 2450.000000 1966 | 2526.250000 1967 | 2428.750000 1968 | 2521.250000 1969 | 2503.750000 1970 | 2431.250000 1971 | 2420.000000 1972 | 2406.250000 1973 | 2457.500000 1974 | 2427.500000 1975 | 2490.000000 1976 | 2361.250000 1977 | 2486.250000 1978 | 2528.750000 1979 | 2428.750000 1980 | 2548.750000 1981 | 2425.000000 1982 | 2381.250000 1983 | 2476.250000 1984 | 2361.250000 1985 | 2381.250000 1986 | 2353.750000 1987 | 2435.000000 1988 | 2381.250000 1989 | 2526.250000 1990 | 2315.000000 1991 | 2432.500000 1992 | 2343.750000 1993 | 2443.750000 1994 | 2452.500000 1995 | 2470.000000 1996 | 2465.000000 1997 | 2382.500000 1998 | 2433.750000 1999 | 2382.500000 2000 | 2452.500000 2001 | 2531.250000 2002 | 2437.500000 2003 | 2470.000000 2004 | 2347.500000 2005 | 2475.000000 2006 | 2405.000000 2007 | 2357.500000 2008 | 2425.000000 2009 | 2412.500000 2010 | 2390.000000 2011 | 2466.250000 2012 | 2400.000000 2013 | 2516.250000 2014 | 2395.000000 2015 | 2407.500000 2016 | 2476.250000 2017 | 2445.000000 2018 | 2376.250000 2019 | 2573.750000 2020 | 2326.250000 2021 | 2360.000000 2022 | 2420.000000 2023 | 2361.250000 2024 | 2407.500000 2025 | 2436.250000 2026 | 2382.500000 2027 | 2427.500000 2028 | 2356.250000 2029 | 2422.500000 2030 | 2367.500000 2031 | 2437.500000 2032 | 2560.000000 2033 | 2506.250000 2034 | 2420.000000 2035 | 2388.750000 2036 | 2375.000000 2037 | 2382.500000 2038 | 2385.000000 2039 | 2408.750000 2040 | 2480.000000 2041 | 2358.750000 2042 | 2418.750000 2043 | 2460.000000 2044 | 2435.000000 2045 | 2452.500000 2046 | 2382.500000 2047 | 2477.500000 2048 | 2356.250000 2049 | 2431.250000 2050 | 2416.250000 2051 | 2381.250000 2052 | 2465.000000 2053 | 2367.500000 2054 | 2363.750000 2055 | 2426.250000 2056 | 2321.250000 2057 | 2471.250000 2058 | 2425.000000 2059 | 2371.250000 2060 | 2395.000000 2061 | 2487.500000 2062 | 2471.250000 2063 | 2423.750000 2064 | 2407.500000 2065 | 2396.250000 2066 | 2468.750000 2067 | 2406.250000 2068 | 2465.000000 2069 | 2401.250000 2070 | 2420.000000 2071 | 2523.750000 2072 | 2502.500000 2073 | 2432.500000 2074 | 2406.250000 2075 | 2433.750000 2076 | 2538.750000 2077 | 2408.750000 2078 | 2566.250000 2079 | 2558.750000 2080 | 2475.000000 2081 | 2548.750000 2082 | 2486.250000 2083 | 2536.250000 2084 | 2545.000000 2085 | 2597.500000 2086 | 2466.250000 2087 | 2511.250000 2088 | 2591.250000 2089 | 2601.250000 2090 | 2805.000000 2091 | 2616.250000 2092 | 2723.750000 2093 | 2732.500000 2094 | 2702.500000 2095 | 2845.000000 2096 | 2811.250000 2097 | 2890.000000 2098 | 2971.250000 2099 | 2813.750000 2100 | 2911.250000 2101 | 3056.250000 2102 | 3011.250000 2103 | 3008.750000 2104 | 3038.750000 2105 | 2952.500000 2106 | 3117.500000 2107 | 3065.000000 2108 | 3140.000000 2109 | 3270.000000 2110 | 3170.000000 2111 | 3216.250000 2112 | 3255.000000 2113 | 3183.750000 2114 | 3291.250000 2115 | 3373.750000 2116 | 3425.000000 2117 | 3396.250000 2118 | 3231.250000 2119 | 3488.750000 2120 | 3447.500000 2121 | 3571.250000 2122 | 3436.250000 2123 | 3357.500000 2124 | 3503.750000 2125 | 3491.250000 2126 | 3558.750000 2127 | 3467.500000 2128 | 3593.750000 2129 | 3567.500000 2130 | 3558.750000 2131 | 3522.500000 2132 | 3502.500000 2133 | 3588.750000 2134 | 3606.250000 2135 | 3501.250000 2136 | 3550.000000 2137 | 3680.000000 2138 | 3570.000000 2139 | 3438.750000 2140 | 3498.750000 2141 | 3583.750000 2142 | 3470.000000 2143 | 3458.750000 2144 | 3527.500000 2145 | 3463.750000 2146 | 3380.000000 2147 | 3352.500000 2148 | 3458.750000 2149 | 3460.000000 2150 | 3380.000000 2151 | 3337.500000 2152 | 3296.250000 2153 | 3263.750000 2154 | 3281.250000 2155 | 3280.000000 2156 | 3302.500000 2157 | 3190.000000 2158 | 3090.000000 2159 | 3131.250000 2160 | 3116.250000 2161 | 3115.000000 2162 | 3020.000000 2163 | 2986.250000 2164 | 3111.250000 2165 | 3031.250000 2166 | 3075.000000 2167 | 3030.000000 2168 | 3033.750000 2169 | 2978.750000 2170 | 2980.000000 2171 | 2942.500000 2172 | 2956.250000 2173 | 2917.500000 2174 | 2778.750000 2175 | 2930.000000 2176 | 2803.750000 2177 | 2791.250000 2178 | 2898.750000 2179 | 2848.750000 2180 | 2828.750000 2181 | 2945.000000 2182 | 2776.250000 2183 | 2843.750000 2184 | 2811.250000 2185 | 2895.000000 2186 | 2846.250000 2187 | 2835.000000 2188 | 2837.500000 2189 | 2945.000000 2190 | 2731.250000 2191 | 2831.250000 2192 | 2907.500000 2193 | 2868.750000 2194 | 2913.750000 2195 | 2823.750000 2196 | 2860.000000 2197 | 2961.250000 2198 | 2938.750000 2199 | 2845.000000 2200 | 2991.250000 2201 | 3015.000000 2202 | 2986.250000 2203 | 3026.250000 2204 | 2953.750000 2205 | 3000.000000 2206 | 3041.250000 2207 | 3072.500000 2208 | 3011.250000 2209 | 3056.250000 2210 | 3140.000000 2211 | 3210.000000 2212 | 3210.000000 2213 | 3145.000000 2214 | 3255.000000 2215 | 3217.500000 2216 | 3227.500000 2217 | 3300.000000 2218 | 3310.000000 2219 | 3312.500000 2220 | 3335.000000 2221 | 3330.000000 2222 | 3413.750000 2223 | 3341.250000 2224 | 3336.250000 2225 | 3443.750000 2226 | 3411.250000 2227 | 3367.500000 2228 | 3448.750000 2229 | 3458.750000 2230 | 3431.250000 2231 | 3450.000000 2232 | 3473.750000 2233 | 3421.250000 2234 | 3580.000000 2235 | 3525.000000 2236 | 3600.000000 2237 | 3511.250000 2238 | 3508.750000 2239 | 3486.250000 2240 | 3377.500000 2241 | 3362.500000 2242 | 3407.500000 2243 | 3381.250000 2244 | 3447.500000 2245 | 3346.250000 2246 | 3407.500000 2247 | 3338.750000 2248 | 3433.750000 2249 | 3291.250000 2250 | 3248.750000 2251 | 3246.250000 2252 | 3175.000000 2253 | 3090.000000 2254 | 3060.000000 2255 | 3141.250000 2256 | 3123.750000 2257 | 3100.000000 2258 | 3032.500000 2259 | 3040.000000 2260 | 2891.250000 2261 | 2855.000000 2262 | 3006.250000 2263 | 2878.750000 2264 | 2900.000000 2265 | 2796.250000 2266 | 2781.250000 2267 | 2667.500000 2268 | 2860.000000 2269 | 2828.750000 2270 | 2697.500000 2271 | 2663.750000 2272 | 2732.500000 2273 | 2598.750000 2274 | 2591.250000 2275 | 2621.250000 2276 | 2646.250000 2277 | 2537.500000 2278 | 2410.000000 2279 | 2461.250000 2280 | 2528.750000 2281 | 2423.750000 2282 | 2421.250000 2283 | 2460.000000 2284 | 2405.000000 2285 | 2412.500000 2286 | 2361.250000 2287 | 2357.500000 2288 | 2316.250000 2289 | 2272.500000 2290 | 2377.500000 2291 | 2358.750000 2292 | 2350.000000 2293 | 2300.000000 2294 | 2355.000000 2295 | 2206.250000 2296 | 2250.000000 2297 | 2206.250000 2298 | 2167.500000 2299 | 2281.250000 2300 | 2218.750000 2301 | 2152.500000 2302 | 2200.000000 2303 | 2102.500000 2304 | 2152.500000 2305 | 2153.750000 2306 | 2145.000000 2307 | 2182.500000 2308 | 2252.500000 2309 | 2267.500000 2310 | 2096.250000 2311 | 2038.750000 2312 | 2257.500000 2313 | 2205.000000 2314 | 2111.250000 2315 | 2075.000000 2316 | 2155.000000 2317 | 2092.500000 2318 | 2115.000000 2319 | 2093.750000 2320 | 2081.250000 2321 | 2146.250000 2322 | 2062.500000 2323 | Block No.5 2324 | Sample ID : 1 2325 | 2019 2326 | 1 2327 | 22 2328 | -1 2329 | -1 2330 | -1 2331 | -1 2332 | 2 2333 | IntensityCalCoeff: 180.254000 0.348000 2334 | 0 2335 | XPS 2336 | Al mono 2337 | 1486.60 2338 | 24.600000 2339 | 2000 2340 | 800 2341 | 45.000000 2342 | 270.000000 2343 | FAT 2344 | 46.950000 2345 | 5.000000 2346 | 4.190000 2347 | 0 2348 | 100.000000 2349 | 100.000000 2350 | 45.000000 2351 | 90.000000 2352 | Mo 2353 | 3d 2354 | -1 2355 | Binding Energy 2356 | eV 2357 | 240.000000 2358 | -0.050000 2359 | 1 2360 | Intensity 2361 | c/s 2362 | pulse counting 2363 | 0.800000 2364 | 1 2365 | 0 2366 | 9.399414e-003 2367 | 90 2368 | -0.050000 2369 | 0 2370 | 401 2371 | 495.000000 2372 | 4206.250000 2373 | 1252.500000 2374 | 1230.000000 2375 | 1196.250000 2376 | 1256.250000 2377 | 1267.500000 2378 | 1193.750000 2379 | 1225.000000 2380 | 1251.250000 2381 | 1245.000000 2382 | 1233.750000 2383 | 1170.000000 2384 | 1205.000000 2385 | 1228.750000 2386 | 1270.000000 2387 | 1240.000000 2388 | 1283.750000 2389 | 1198.750000 2390 | 1263.750000 2391 | 1210.000000 2392 | 1187.500000 2393 | 1183.750000 2394 | 1212.500000 2395 | 1201.250000 2396 | 1261.250000 2397 | 1241.250000 2398 | 1233.750000 2399 | 1257.500000 2400 | 1228.750000 2401 | 1240.000000 2402 | 1193.750000 2403 | 1252.500000 2404 | 1188.750000 2405 | 1332.500000 2406 | 1231.250000 2407 | 1191.250000 2408 | 1203.750000 2409 | 1220.000000 2410 | 1227.500000 2411 | 1255.000000 2412 | 1162.500000 2413 | 1275.000000 2414 | 1168.750000 2415 | 1227.500000 2416 | 1250.000000 2417 | 1223.750000 2418 | 1210.000000 2419 | 1228.750000 2420 | 1235.000000 2421 | 1178.750000 2422 | 1236.250000 2423 | 1213.750000 2424 | 1171.250000 2425 | 1225.000000 2426 | 1230.000000 2427 | 1193.750000 2428 | 1266.250000 2429 | 1268.750000 2430 | 1200.000000 2431 | 1140.000000 2432 | 1243.750000 2433 | 1255.000000 2434 | 1231.250000 2435 | 1321.250000 2436 | 1245.000000 2437 | 1273.750000 2438 | 1308.750000 2439 | 1281.250000 2440 | 1205.000000 2441 | 1281.250000 2442 | 1298.750000 2443 | 1235.000000 2444 | 1225.000000 2445 | 1218.750000 2446 | 1262.500000 2447 | 1266.250000 2448 | 1382.500000 2449 | 1315.000000 2450 | 1266.250000 2451 | 1358.750000 2452 | 1306.250000 2453 | 1417.500000 2454 | 1308.750000 2455 | 1311.250000 2456 | 1276.250000 2457 | 1320.000000 2458 | 1338.750000 2459 | 1376.250000 2460 | 1381.250000 2461 | 1380.000000 2462 | 1290.000000 2463 | 1358.750000 2464 | 1352.500000 2465 | 1378.750000 2466 | 1402.500000 2467 | 1346.250000 2468 | 1340.000000 2469 | 1370.000000 2470 | 1440.000000 2471 | 1455.000000 2472 | 1361.250000 2473 | 1438.750000 2474 | 1430.000000 2475 | 1376.250000 2476 | 1481.250000 2477 | 1505.000000 2478 | 1432.500000 2479 | 1460.000000 2480 | 1463.750000 2481 | 1520.000000 2482 | 1480.000000 2483 | 1453.750000 2484 | 1513.750000 2485 | 1438.750000 2486 | 1501.250000 2487 | 1540.000000 2488 | 1443.750000 2489 | 1536.250000 2490 | 1488.750000 2491 | 1520.000000 2492 | 1540.000000 2493 | 1561.250000 2494 | 1538.750000 2495 | 1586.250000 2496 | 1625.000000 2497 | 1596.250000 2498 | 1595.000000 2499 | 1715.000000 2500 | 1603.750000 2501 | 1667.500000 2502 | 1676.250000 2503 | 1728.750000 2504 | 1748.750000 2505 | 1711.250000 2506 | 1715.000000 2507 | 1852.500000 2508 | 1773.750000 2509 | 1880.000000 2510 | 1845.000000 2511 | 1857.500000 2512 | 1896.250000 2513 | 1940.000000 2514 | 1951.250000 2515 | 2116.250000 2516 | 2033.750000 2517 | 2091.250000 2518 | 2070.000000 2519 | 2191.250000 2520 | 2263.750000 2521 | 2361.250000 2522 | 2302.500000 2523 | 2311.250000 2524 | 2351.250000 2525 | 2425.000000 2526 | 2528.750000 2527 | 2543.750000 2528 | 2730.000000 2529 | 2741.250000 2530 | 2817.500000 2531 | 2911.250000 2532 | 2968.750000 2533 | 3012.500000 2534 | 3058.750000 2535 | 3183.750000 2536 | 3202.500000 2537 | 3275.000000 2538 | 3461.250000 2539 | 3521.250000 2540 | 3388.750000 2541 | 3342.500000 2542 | 3301.250000 2543 | 3315.000000 2544 | 3325.000000 2545 | 3400.000000 2546 | 3308.750000 2547 | 3185.000000 2548 | 3121.250000 2549 | 3153.750000 2550 | 3072.500000 2551 | 2911.250000 2552 | 2986.250000 2553 | 2818.750000 2554 | 2765.000000 2555 | 2927.500000 2556 | 2717.500000 2557 | 2746.250000 2558 | 2627.500000 2559 | 2688.750000 2560 | 2576.250000 2561 | 2598.750000 2562 | 2581.250000 2563 | 2462.500000 2564 | 2501.250000 2565 | 2377.500000 2566 | 2380.000000 2567 | 2363.750000 2568 | 2307.500000 2569 | 2385.000000 2570 | 2282.500000 2571 | 2356.250000 2572 | 2380.000000 2573 | 2232.500000 2574 | 2232.500000 2575 | 2231.250000 2576 | 2216.250000 2577 | 2212.500000 2578 | 2203.750000 2579 | 2151.250000 2580 | 2185.000000 2581 | 2293.750000 2582 | 2160.000000 2583 | 2198.750000 2584 | 2393.750000 2585 | 2325.000000 2586 | 2421.250000 2587 | 2463.750000 2588 | 2628.750000 2589 | 2636.250000 2590 | 2747.500000 2591 | 2912.500000 2592 | 2823.750000 2593 | 3061.250000 2594 | 3102.500000 2595 | 3337.500000 2596 | 3405.000000 2597 | 3682.500000 2598 | 3751.250000 2599 | 3913.750000 2600 | 3911.250000 2601 | 4040.000000 2602 | 4027.500000 2603 | 4155.000000 2604 | 4206.250000 2605 | 4195.000000 2606 | 4101.250000 2607 | 4072.500000 2608 | 3986.250000 2609 | 3948.750000 2610 | 3688.750000 2611 | 3573.750000 2612 | 3405.000000 2613 | 3497.500000 2614 | 3321.250000 2615 | 3170.000000 2616 | 3102.500000 2617 | 2920.000000 2618 | 2848.750000 2619 | 2766.250000 2620 | 2721.250000 2621 | 2631.250000 2622 | 2663.750000 2623 | 2583.750000 2624 | 2548.750000 2625 | 2497.500000 2626 | 2427.500000 2627 | 2402.500000 2628 | 2400.000000 2629 | 2393.750000 2630 | 2248.750000 2631 | 2221.250000 2632 | 2120.000000 2633 | 2097.500000 2634 | 1983.750000 2635 | 1948.750000 2636 | 1771.250000 2637 | 1681.250000 2638 | 1706.250000 2639 | 1698.750000 2640 | 1596.250000 2641 | 1573.750000 2642 | 1527.500000 2643 | 1496.250000 2644 | 1475.000000 2645 | 1388.750000 2646 | 1373.750000 2647 | 1416.250000 2648 | 1360.000000 2649 | 1491.250000 2650 | 1380.000000 2651 | 1366.250000 2652 | 1431.250000 2653 | 1323.750000 2654 | 1367.500000 2655 | 1476.250000 2656 | 1420.000000 2657 | 1422.500000 2658 | 1506.250000 2659 | 1392.500000 2660 | 1428.750000 2661 | 1382.500000 2662 | 1448.750000 2663 | 1450.000000 2664 | 1427.500000 2665 | 1428.750000 2666 | 1453.750000 2667 | 1346.250000 2668 | 1407.500000 2669 | 1322.500000 2670 | 1331.250000 2671 | 1385.000000 2672 | 1392.500000 2673 | 1335.000000 2674 | 1283.750000 2675 | 1331.250000 2676 | 1215.000000 2677 | 1223.750000 2678 | 1247.500000 2679 | 1181.250000 2680 | 1196.250000 2681 | 1170.000000 2682 | 1158.750000 2683 | 1062.500000 2684 | 1110.000000 2685 | 1033.750000 2686 | 1131.250000 2687 | 1022.500000 2688 | 1003.750000 2689 | 1087.500000 2690 | 1035.000000 2691 | 991.250000 2692 | 987.500000 2693 | 877.500000 2694 | 911.250000 2695 | 922.500000 2696 | 847.500000 2697 | 856.250000 2698 | 811.250000 2699 | 767.500000 2700 | 812.500000 2701 | 791.250000 2702 | 833.750000 2703 | 823.750000 2704 | 723.750000 2705 | 735.000000 2706 | 740.000000 2707 | 681.250000 2708 | 738.750000 2709 | 723.750000 2710 | 785.000000 2711 | 666.250000 2712 | 641.250000 2713 | 687.500000 2714 | 620.000000 2715 | 692.500000 2716 | 615.000000 2717 | 638.750000 2718 | 645.000000 2719 | 611.250000 2720 | 593.750000 2721 | 588.750000 2722 | 587.500000 2723 | 616.250000 2724 | 637.500000 2725 | 611.250000 2726 | 612.500000 2727 | 565.000000 2728 | 572.500000 2729 | 545.000000 2730 | 578.750000 2731 | 600.000000 2732 | 565.000000 2733 | 561.250000 2734 | 620.000000 2735 | 511.250000 2736 | 547.500000 2737 | 576.250000 2738 | 562.500000 2739 | 535.000000 2740 | 563.750000 2741 | 533.750000 2742 | 546.250000 2743 | 551.250000 2744 | 527.500000 2745 | 527.500000 2746 | 540.000000 2747 | 523.750000 2748 | 526.250000 2749 | 505.000000 2750 | 576.250000 2751 | 516.250000 2752 | 498.750000 2753 | 530.000000 2754 | 531.250000 2755 | 522.500000 2756 | 500.000000 2757 | 518.750000 2758 | 521.250000 2759 | 537.500000 2760 | 586.250000 2761 | 542.500000 2762 | 513.750000 2763 | 526.250000 2764 | 521.250000 2765 | 495.000000 2766 | 505.000000 2767 | 548.750000 2768 | 511.250000 2769 | 547.500000 2770 | 518.750000 2771 | 522.500000 2772 | 516.250000 2773 | 537.500000 2774 | end of experiment 2775 | --------------------------------------------------------------------------------