├── .gitignore ├── Documentation └── English │ ├── Guides │ └── PackageOverview.nb │ ├── ReferencePages │ └── Symbols │ │ ├── $CrystalData.nb │ │ ├── $GroupSymbolRedirect.nb │ │ ├── $LaueClasses.nb │ │ ├── $MaXrdPath.nb │ │ ├── $MaXrdVersion.nb │ │ ├── $PeriodicTable.nb │ │ ├── $PointGroups.nb │ │ ├── $SpaceGroups.nb │ │ ├── $TransformationMatrices.nb │ │ ├── AttenuationCoefficient.nb │ │ ├── BraggAngle.nb │ │ ├── ConstructDomains.nb │ │ ├── CrystalDensity.nb │ │ ├── CrystalFormulaUnits.nb │ │ ├── CrystalPlot.nb │ │ ├── DarwinWidth.nb │ │ ├── DistortStructure.nb │ │ ├── DomainPlot.nb │ │ ├── EmbedStructure.nb │ │ ├── ExpandCrystal.nb │ │ ├── ExportCrystalData.nb │ │ ├── ExtinctionLength.nb │ │ ├── FindPixelClusters.nb │ │ ├── GetAtomCoordinates.nb │ │ ├── GetAtomicScatteringFactors.nb │ │ ├── GetCrystalMetric.nb │ │ ├── GetElements.nb │ │ ├── GetLatticeParameters.nb │ │ ├── GetLaueClass.nb │ │ ├── GetScatteringCrossSections.nb │ │ ├── GetSymmetryData.nb │ │ ├── GetSymmetryOperations.nb │ │ ├── ImportCrystalData.nb │ │ ├── InputCheck.nb │ │ ├── InterplanarSpacing.nb │ │ ├── MergeDomains.nb │ │ ├── MergeSymmetryEquivalentReflections.nb │ │ ├── MillerNotationToList.nb │ │ ├── MillerNotationToString.nb │ │ ├── ReciprocalImageCheck.nb │ │ ├── ReciprocalSpaceSimulation.nb │ │ ├── ReflectionList.nb │ │ ├── RelatedFunctionsGraph.nb │ │ ├── ResetCrystalData.nb │ │ ├── ResizeStructure.nb │ │ ├── SimulateDiffractionPattern.nb │ │ ├── StructureFactor.nb │ │ ├── StructureFactorTable.nb │ │ ├── SymmetryEquivalentPositions.nb │ │ ├── SymmetryEquivalentReflections.nb │ │ ├── SymmetryEquivalentReflectionsQ.nb │ │ ├── SynthesiseStructure.nb │ │ ├── SystematicAbsentQ.nb │ │ ├── ToStandardSetting.nb │ │ ├── TransformAtomicDisplacementParameters.nb │ │ └── UnitCellTransformation.nb │ └── Tutorials │ ├── ApplyingCrystalData.nb │ ├── BasicComputations.nb │ ├── ComputationsOnReflections.nb │ ├── FormulasInCrystallography.nb │ ├── ImportingCrystalData.nb │ ├── QuickGuideToConditions.nb │ ├── References.nb │ ├── SymmetryCalculations.nb │ ├── TheAssociationStructureOfCrystallographicData.nb │ └── UsingTheRotationOptions.nb ├── Kernel ├── AutoCompletion.wl ├── Data │ ├── AtomicScatteringFactor │ │ ├── AnomalousCorrections │ │ │ ├── BrennanCowan.m │ │ │ ├── Chantler.m │ │ │ ├── CromerLiberman.m │ │ │ ├── EPDL97.m │ │ │ ├── Henke.m │ │ │ ├── Kissel.m │ │ │ ├── Sasaki.m │ │ │ ├── Windt.m │ │ │ └── xraylib.m │ │ ├── CromerMann.m │ │ ├── EPDL97.m │ │ ├── InternationalTablesC(3rd).m │ │ ├── Kissel(modified).m │ │ ├── Kissel.m │ │ ├── WaasmaierKirfel.m │ │ └── XOP(2.1).m │ ├── CrossSections │ │ ├── Metadata.txt │ │ └── xraylib │ │ │ ├── Ac.dat │ │ │ ├── Ag.dat │ │ │ ├── Al.dat │ │ │ ├── Am.dat │ │ │ ├── Ar.dat │ │ │ ├── As.dat │ │ │ ├── At.dat │ │ │ ├── Au.dat │ │ │ ├── B.dat │ │ │ ├── Ba.dat │ │ │ ├── Be.dat │ │ │ ├── Bi.dat │ │ │ ├── Bk.dat │ │ │ ├── Br.dat │ │ │ ├── C.dat │ │ │ ├── Ca.dat │ │ │ ├── Cd.dat │ │ │ ├── Ce.dat │ │ │ ├── Cf.dat │ │ │ ├── Cl.dat │ │ │ ├── Cm.dat │ │ │ ├── Co.dat │ │ │ ├── Cr.dat │ │ │ ├── Cs.dat │ │ │ ├── Cu.dat │ │ │ ├── Dy.dat │ │ │ ├── Er.dat │ │ │ ├── Eu.dat │ │ │ ├── F.dat │ │ │ ├── Fe.dat │ │ │ ├── Fr.dat │ │ │ ├── Ga.dat │ │ │ ├── Gd.dat │ │ │ ├── Ge.dat │ │ │ ├── H.dat │ │ │ ├── He.dat │ │ │ ├── Hf.dat │ │ │ ├── Hg.dat │ │ │ ├── Ho.dat │ │ │ ├── I.dat │ │ │ ├── In.dat │ │ │ ├── Ir.dat │ │ │ ├── K.dat │ │ │ ├── Kr.dat │ │ │ ├── La.dat │ │ │ ├── Li.dat │ │ │ ├── Lu.dat │ │ │ ├── Mg.dat │ │ │ ├── Mn.dat │ │ │ ├── Mo.dat │ │ │ ├── N.dat │ │ │ ├── Na.dat │ │ │ ├── Nb.dat │ │ │ ├── Nd.dat │ │ │ ├── Ne.dat │ │ │ ├── Ni.dat │ │ │ ├── Np.dat │ │ │ ├── O.dat │ │ │ ├── Os.dat │ │ │ ├── P.dat │ │ │ ├── Pa.dat │ │ │ ├── Pb.dat │ │ │ ├── Pd.dat │ │ │ ├── Pm.dat │ │ │ ├── Po.dat │ │ │ ├── Pr.dat │ │ │ ├── Pt.dat │ │ │ ├── Pu.dat │ │ │ ├── Ra.dat │ │ │ ├── Rb.dat │ │ │ ├── Re.dat │ │ │ ├── Rh.dat │ │ │ ├── Rn.dat │ │ │ ├── Ru.dat │ │ │ ├── S.dat │ │ │ ├── Sb.dat │ │ │ ├── Sc.dat │ │ │ ├── Se.dat │ │ │ ├── Si.dat │ │ │ ├── Sm.dat │ │ │ ├── Sn.dat │ │ │ ├── Sr.dat │ │ │ ├── Ta.dat │ │ │ ├── Tb.dat │ │ │ ├── Tc.dat │ │ │ ├── Te.dat │ │ │ ├── Th.dat │ │ │ ├── Ti.dat │ │ │ ├── Tl.dat │ │ │ ├── Tm.dat │ │ │ ├── U.dat │ │ │ ├── V.dat │ │ │ ├── W.dat │ │ │ ├── Xe.dat │ │ │ ├── Y.dat │ │ │ ├── Yb.dat │ │ │ ├── Zn.dat │ │ │ └── Zr.dat │ ├── CrystalDataDemo.m │ ├── GroupSymbolRedirect.m │ ├── PeriodicTable.m │ ├── PointGroups │ │ ├── PointGroup_01_1.wl │ │ ├── PointGroup_02_-1.wl │ │ ├── PointGroup_03_2.wl │ │ ├── PointGroup_04_m.wl │ │ ├── PointGroup_05_2_m.wl │ │ ├── PointGroup_06_222.wl │ │ ├── PointGroup_07_mm2.wl │ │ ├── PointGroup_08_mmm.wl │ │ ├── PointGroup_09_4.wl │ │ ├── PointGroup_10_-4.wl │ │ ├── PointGroup_11_4_m.wl │ │ ├── PointGroup_12_422.wl │ │ ├── PointGroup_13_4mm.wl │ │ ├── PointGroup_14_-42m.wl │ │ ├── PointGroup_15_4_mmm.wl │ │ ├── PointGroup_16_3.wl │ │ ├── PointGroup_17_-3.wl │ │ ├── PointGroup_18_32.wl │ │ ├── PointGroup_19_3m.wl │ │ ├── PointGroup_20_-3m.wl │ │ ├── PointGroup_21_6.wl │ │ ├── PointGroup_22_-6.wl │ │ ├── PointGroup_23_6_m.wl │ │ ├── PointGroup_24_622.wl │ │ ├── PointGroup_25_6mm.wl │ │ ├── PointGroup_26_-62m.wl │ │ ├── PointGroup_27_6_mmm.wl │ │ ├── PointGroup_28_23.wl │ │ ├── PointGroup_29_m-3.wl │ │ ├── PointGroup_30_432.wl │ │ ├── PointGroup_31_-43m.wl │ │ └── PointGroup_32_m-3m.wl │ ├── SpaceGroups │ │ ├── SpaceGroup_001_P1.wl │ │ ├── SpaceGroup_002_P-1.wl │ │ ├── SpaceGroup_003_P2.wl │ │ ├── SpaceGroup_004_P21.wl │ │ ├── SpaceGroup_005_C2.wl │ │ ├── SpaceGroup_006_Pm.wl │ │ ├── SpaceGroup_007_Pc.wl │ │ ├── SpaceGroup_008_Cm.wl │ │ ├── SpaceGroup_009_Cc.wl │ │ ├── SpaceGroup_010_P2_m.wl │ │ ├── SpaceGroup_011_P21_m.wl │ │ ├── SpaceGroup_012_C2_m.wl │ │ ├── SpaceGroup_013_P2_c.wl │ │ ├── SpaceGroup_014_P21_c.wl │ │ ├── SpaceGroup_015_C2_c.wl │ │ ├── SpaceGroup_016_P222.wl │ │ ├── SpaceGroup_017_P2221.wl │ │ ├── SpaceGroup_018_P21212.wl │ │ ├── SpaceGroup_019_P212121.wl │ │ ├── SpaceGroup_020_C2221.wl │ │ ├── SpaceGroup_021_C222.wl │ │ ├── SpaceGroup_022_F222.wl │ │ ├── SpaceGroup_023_I222.wl │ │ ├── SpaceGroup_024_I212121.wl │ │ ├── SpaceGroup_025_Pmm2.wl │ │ ├── SpaceGroup_026_Pmc21.wl │ │ ├── SpaceGroup_027_Pcc2.wl │ │ ├── SpaceGroup_028_Pma2.wl │ │ ├── SpaceGroup_029_Pca21.wl │ │ ├── SpaceGroup_030_Pnc2.wl │ │ ├── SpaceGroup_031_Pmn21.wl │ │ ├── SpaceGroup_032_Pba2.wl │ │ ├── SpaceGroup_033_Pna21.wl │ │ ├── SpaceGroup_034_Pnn2.wl │ │ ├── SpaceGroup_035_Cmm2.wl │ │ ├── SpaceGroup_036_Cmc21.wl │ │ ├── SpaceGroup_037_Ccc2.wl │ │ ├── SpaceGroup_038_Amm2.wl │ │ ├── SpaceGroup_039_Aem2.wl │ │ ├── SpaceGroup_040_Ama2.wl │ │ ├── SpaceGroup_041_Aea2.wl │ │ ├── SpaceGroup_042_Fmm2.wl │ │ ├── SpaceGroup_043_Fdd2.wl │ │ ├── SpaceGroup_044_Imm2.wl │ │ ├── SpaceGroup_045_Iba2.wl │ │ ├── SpaceGroup_046_Ima2.wl │ │ ├── SpaceGroup_047_Pmmm.wl │ │ ├── SpaceGroup_048_Pnnn.wl │ │ ├── SpaceGroup_049_Pccm.wl │ │ ├── SpaceGroup_050_Pban.wl │ │ ├── SpaceGroup_051_Pmma.wl │ │ ├── SpaceGroup_052_Pnna.wl │ │ ├── SpaceGroup_053_Pmna.wl │ │ ├── SpaceGroup_054_Pcca.wl │ │ ├── SpaceGroup_055_Pbam.wl │ │ ├── SpaceGroup_056_Pccn.wl │ │ ├── SpaceGroup_057_Pbcm.wl │ │ ├── SpaceGroup_058_Pnnm.wl │ │ ├── SpaceGroup_059_Pmmn.wl │ │ ├── SpaceGroup_060_Pbcn.wl │ │ ├── SpaceGroup_061_Pbca.wl │ │ ├── SpaceGroup_062_Pnma.wl │ │ ├── SpaceGroup_063_Cmcm.wl │ │ ├── SpaceGroup_064_Cmce.wl │ │ ├── SpaceGroup_065_Cmmm.wl │ │ ├── SpaceGroup_066_Cccm.wl │ │ ├── SpaceGroup_067_Cmme.wl │ │ ├── SpaceGroup_068_Ccce.wl │ │ ├── SpaceGroup_069_Fmmm.wl │ │ ├── SpaceGroup_070_Fddd.wl │ │ ├── SpaceGroup_071_Immm.wl │ │ ├── SpaceGroup_072_Ibam.wl │ │ ├── SpaceGroup_073_Ibca.wl │ │ ├── SpaceGroup_074_Imma.wl │ │ ├── SpaceGroup_075_P4.wl │ │ ├── SpaceGroup_076_P41.wl │ │ ├── SpaceGroup_077_P42.wl │ │ ├── SpaceGroup_078_P43.wl │ │ ├── SpaceGroup_079_I4.wl │ │ ├── SpaceGroup_080_I41.wl │ │ ├── SpaceGroup_081_P-4.wl │ │ ├── SpaceGroup_082_I-4.wl │ │ ├── SpaceGroup_083_P4_m.wl │ │ ├── SpaceGroup_084_P42_m.wl │ │ ├── SpaceGroup_085_P4_n.wl │ │ ├── SpaceGroup_086_P42_n.wl │ │ ├── SpaceGroup_087_I4_m.wl │ │ ├── SpaceGroup_088_I41_a.wl │ │ ├── SpaceGroup_089_P422.wl │ │ ├── SpaceGroup_090_P4212.wl │ │ ├── SpaceGroup_091_P4122.wl │ │ ├── SpaceGroup_092_P41212.wl │ │ ├── SpaceGroup_093_P4222.wl │ │ ├── SpaceGroup_094_P42212.wl │ │ ├── SpaceGroup_095_P4322.wl │ │ ├── SpaceGroup_096_P43212.wl │ │ ├── SpaceGroup_097_I422.wl │ │ ├── SpaceGroup_098_I4122.wl │ │ ├── SpaceGroup_099_P4mm.wl │ │ ├── SpaceGroup_100_P4bm.wl │ │ ├── SpaceGroup_101_P42cm.wl │ │ ├── SpaceGroup_102_P42nm.wl │ │ ├── SpaceGroup_103_P4cc.wl │ │ ├── SpaceGroup_104_P4nc.wl │ │ ├── SpaceGroup_105_P42mc.wl │ │ ├── SpaceGroup_106_P42bc.wl │ │ ├── SpaceGroup_107_I4mm.wl │ │ ├── SpaceGroup_108_I4cm.wl │ │ ├── SpaceGroup_109_I41md.wl │ │ ├── SpaceGroup_110_I41cd.wl │ │ ├── SpaceGroup_111_P-42m.wl │ │ ├── SpaceGroup_112_P-42c.wl │ │ ├── SpaceGroup_113_P-421m.wl │ │ ├── SpaceGroup_114_P-421c.wl │ │ ├── SpaceGroup_115_P-4m2.wl │ │ ├── SpaceGroup_116_P-4c2.wl │ │ ├── SpaceGroup_117_P-4b2.wl │ │ ├── SpaceGroup_118_P-4n2.wl │ │ ├── SpaceGroup_119_I-4m2.wl │ │ ├── SpaceGroup_120_I-4c2.wl │ │ ├── SpaceGroup_121_I-42m.wl │ │ ├── SpaceGroup_122_I-42d.wl │ │ ├── SpaceGroup_123_P4_mmm.wl │ │ ├── SpaceGroup_124_P4_mcc.wl │ │ ├── SpaceGroup_125_P4_nbm.wl │ │ ├── SpaceGroup_126_P4_nnc.wl │ │ ├── SpaceGroup_127_P4_mbm.wl │ │ ├── SpaceGroup_128_P4_mnc.wl │ │ ├── SpaceGroup_129_P4_nmm.wl │ │ ├── SpaceGroup_130_P4_ncc.wl │ │ ├── SpaceGroup_131_P42_mmc.wl │ │ ├── SpaceGroup_132_P42_mcm.wl │ │ ├── SpaceGroup_133_P42_nbc.wl │ │ ├── SpaceGroup_134_P42_nnm.wl │ │ ├── SpaceGroup_135_P42_mbc.wl │ │ ├── SpaceGroup_136_P42_mnm.wl │ │ ├── SpaceGroup_137_P42_nmc.wl │ │ ├── SpaceGroup_138_P42_ncm.wl │ │ ├── SpaceGroup_139_I4_mmm.wl │ │ ├── SpaceGroup_140_I4_mcm.wl │ │ ├── SpaceGroup_141_I41_amd.wl │ │ ├── SpaceGroup_142_I41_acd.wl │ │ ├── SpaceGroup_143_P3.wl │ │ ├── SpaceGroup_144_P31.wl │ │ ├── SpaceGroup_145_P32.wl │ │ ├── SpaceGroup_146_R3.wl │ │ ├── SpaceGroup_147_P-3.wl │ │ ├── SpaceGroup_148_R-3.wl │ │ ├── SpaceGroup_149_P312.wl │ │ ├── SpaceGroup_150_P321.wl │ │ ├── SpaceGroup_151_P3112.wl │ │ ├── SpaceGroup_152_P3121.wl │ │ ├── SpaceGroup_153_P3212.wl │ │ ├── SpaceGroup_154_P3221.wl │ │ ├── SpaceGroup_155_R32.wl │ │ ├── SpaceGroup_156_P3m1.wl │ │ ├── SpaceGroup_157_P31m.wl │ │ ├── SpaceGroup_158_P3c1.wl │ │ ├── SpaceGroup_159_P31c.wl │ │ ├── SpaceGroup_160_R3m.wl │ │ ├── SpaceGroup_161_R3c.wl │ │ ├── SpaceGroup_162_P-31m.wl │ │ ├── SpaceGroup_163_P-31c.wl │ │ ├── SpaceGroup_164_P-3m1.wl │ │ ├── SpaceGroup_165_P-3c1.wl │ │ ├── SpaceGroup_166_R-3m.wl │ │ ├── SpaceGroup_167_R-3c.wl │ │ ├── SpaceGroup_168_P6.wl │ │ ├── SpaceGroup_169_P61.wl │ │ ├── SpaceGroup_170_P65.wl │ │ ├── SpaceGroup_171_P62.wl │ │ ├── SpaceGroup_172_P64.wl │ │ ├── SpaceGroup_173_P63.wl │ │ ├── SpaceGroup_174_P-6.wl │ │ ├── SpaceGroup_175_P6_m.wl │ │ ├── SpaceGroup_176_P63_m.wl │ │ ├── SpaceGroup_177_P622.wl │ │ ├── SpaceGroup_178_P6122.wl │ │ ├── SpaceGroup_179_P6522.wl │ │ ├── SpaceGroup_180_P6222.wl │ │ ├── SpaceGroup_181_P6422.wl │ │ ├── SpaceGroup_182_P6322.wl │ │ ├── SpaceGroup_183_P6mm.wl │ │ ├── SpaceGroup_184_P6cc.wl │ │ ├── SpaceGroup_185_P63cm.wl │ │ ├── SpaceGroup_186_P63mc.wl │ │ ├── SpaceGroup_187_P-6m2.wl │ │ ├── SpaceGroup_188_P-6c2.wl │ │ ├── SpaceGroup_189_P-62m.wl │ │ ├── SpaceGroup_190_P-62c.wl │ │ ├── SpaceGroup_191_P6_mmm.wl │ │ ├── SpaceGroup_192_P6_mcc.wl │ │ ├── SpaceGroup_193_P63_mcm.wl │ │ ├── SpaceGroup_194_P63_mmc.wl │ │ ├── SpaceGroup_195_P23.wl │ │ ├── SpaceGroup_196_F23.wl │ │ ├── SpaceGroup_197_I23.wl │ │ ├── SpaceGroup_198_P213.wl │ │ ├── SpaceGroup_199_I213.wl │ │ ├── SpaceGroup_200_Pm-3.wl │ │ ├── SpaceGroup_201_Pn-3.wl │ │ ├── SpaceGroup_202_Fm-3.wl │ │ ├── SpaceGroup_203_Fd-3.wl │ │ ├── SpaceGroup_204_Im-3.wl │ │ ├── SpaceGroup_205_Pa-3.wl │ │ ├── SpaceGroup_206_Ia-3.wl │ │ ├── SpaceGroup_207_P432.wl │ │ ├── SpaceGroup_208_P4232.wl │ │ ├── SpaceGroup_209_F432.wl │ │ ├── SpaceGroup_210_F4132.wl │ │ ├── SpaceGroup_211_I432.wl │ │ ├── SpaceGroup_212_P4332.wl │ │ ├── SpaceGroup_213_P4132.wl │ │ ├── SpaceGroup_214_I4132.wl │ │ ├── SpaceGroup_215_P-43m.wl │ │ ├── SpaceGroup_216_F-43m.wl │ │ ├── SpaceGroup_217_I-43m.wl │ │ ├── SpaceGroup_218_P-43n.wl │ │ ├── SpaceGroup_219_F-43c.wl │ │ ├── SpaceGroup_220_I-43d.wl │ │ ├── SpaceGroup_221_Pm-3m.wl │ │ ├── SpaceGroup_222_Pn-3n.wl │ │ ├── SpaceGroup_223_Pm-3n.wl │ │ ├── SpaceGroup_224_Pn-3m.wl │ │ ├── SpaceGroup_225_Fm-3m.wl │ │ ├── SpaceGroup_226_Fm-3c.wl │ │ ├── SpaceGroup_227_Fd-3m.wl │ │ ├── SpaceGroup_228_Fd-3c.wl │ │ ├── SpaceGroup_229_Im-3m.wl │ │ └── SpaceGroup_230_Ia-3d.wl │ ├── TransformationMatrices.m │ ├── UsageMessages.m │ └── UserData │ │ └── CrystalData.m ├── Functions │ ├── AttenuationCoefficient.wl │ ├── BraggAngle.wl │ ├── ConstructDomains.wl │ ├── CrystalDensity.wl │ ├── CrystalFormulaUnits.wl │ ├── CrystalPlot.wl │ ├── DarwinWidth.wl │ ├── DistortStructure.wl │ ├── DomainPlot.wl │ ├── EmbedStructure.wl │ ├── ExpandCrystal.wl │ ├── ExportCrystalData.wl │ ├── ExtinctionLength.wl │ ├── FindPixelClusters.wl │ ├── GetAtomCoordinates.wl │ ├── GetAtomicScatteringFactors.wl │ ├── GetCrystalMetric.wl │ ├── GetElements.wl │ ├── GetLatticeParameters.wl │ ├── GetLaueClass.wl │ ├── GetScatteringCrossSections.wl │ ├── GetSymmetryData.wl │ ├── GetSymmetryOperations.wl │ ├── ImportCrystalData.wl │ ├── InputCheck.wl │ ├── InterplanarSpacing.wl │ ├── MergeDomains.wl │ ├── MergeSymmetryEquivalentReflections.wl │ ├── MillerNotationToList.wl │ ├── MillerNotationToString.wl │ ├── ReciprocalImageCheck.wl │ ├── ReciprocalSpaceSimulation.wl │ ├── ReflectionList.wl │ ├── RelatedFunctionsGraph.wl │ ├── ResetCrystalData.wl │ ├── ResizeStructure.wl │ ├── SimulateDiffractionPattern.wl │ ├── StructureFactor.wl │ ├── StructureFactorTable.wl │ ├── SymmetryEquivalentPositions.wl │ ├── SymmetryEquivalentReflections.wl │ ├── SymmetryEquivalentReflectionsQ.wl │ ├── SynthesiseStructure.wl │ ├── SystematicAbsentQ.wl │ ├── ToStandardSetting.wl │ ├── TransformAtomicDisplacementParameters.wl │ └── UnitCellTransformation.wl └── MaXrd.wl ├── LICENSE ├── PacletInfo.wl ├── README.md ├── ResourceDefinition.nb └── Resources ├── ChangeLogs ├── MaXrd_change_log_0.7.5.md ├── MaXrd_change_log_0.7.6.md ├── MaXrd_change_log_0.7.7.md ├── MaXrd_change_log_0.7.8.md ├── MaXrd_change_log_0.7.9.md ├── MaXrd_change_log_0.8.0.md ├── MaXrd_change_log_0.9.0.md ├── MaXrd_change_log_1.0.0.md ├── MaXrd_change_log_1.0.1.md ├── MaXrd_change_log_1.0.2.md ├── MaXrd_change_log_1.1.0.md ├── MaXrd_change_log_1.2.0.md ├── MaXrd_change_log_1.3.0.md ├── MaXrd_change_log_1.4.0.md ├── MaXrd_change_log_1.5.0.md ├── MaXrd_change_log_1.5.1.md ├── MaXrd_change_log_1.5.2.md ├── MaXrd_change_log_1.6.0.md ├── MaXrd_change_log_1.7.0.md ├── MaXrd_change_log_1.8.0.md ├── MaXrd_change_log_2.0.0.md ├── MaXrd_change_log_2.1.0.md ├── MaXrd_change_log_2.1.1.md ├── MaXrd_change_log_2.2.0.md ├── MaXrd_change_log_2.3.0.md ├── MaXrd_change_log_2.4.0.md ├── MaXrd_change_log_2.5.0.md ├── MaXrd_change_log_3.0.0.md ├── MaXrd_change_log_3.1.0.md └── MaXrd_change_log_4.0.0.md ├── ExampleFiles ├── CIF │ ├── COD_2203515.cif │ ├── Default │ │ ├── Austenite.cif │ │ ├── Ferrite.cif │ │ ├── Ice.cif │ │ ├── LaB6.cif │ │ ├── LiCoO2.cif │ │ ├── LiMnO4P.cif │ │ ├── Perovskite.cif │ │ ├── Po.cif │ │ ├── PrussianBlue.cif │ │ ├── Sodalite.cif │ │ ├── W.cif │ │ ├── Zn.cif │ │ └── ZnS.cif │ ├── Ferrocene.cif │ ├── IUCr_produced_with_crystals.cif │ ├── ThioureaFerrocene.cif │ └── Yoderite.cif ├── DIFFUSE │ ├── diffuse_input1_crystal.txt │ └── diffuse_input2_setup.txt ├── DISCUS │ ├── ThioureaFerrocene_5x5x1.stru │ └── fourier_data.dat └── DiffractionImages │ ├── Hexagonal_hk0.jpg │ ├── Hexagonal_hk2.8_165K.jpg │ ├── Laue.png │ ├── Monoclinic_h0l.jpg │ ├── Monoclinic_hk-2.jpg │ ├── Trigonal_hk0.jpg │ └── Trigonal_hk1.jpg ├── Icons ├── MaXrd_PacletIcon.png ├── icon1.png ├── icon2.png ├── icon3.png ├── icon4.png ├── icon5.png ├── 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