easydiffraction 0.1.5__tar.gz → 0.1.6__tar.gz

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Files changed (169) hide show
  1. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/PKG-INFO +1 -1
  2. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Change-minimizer.ipynb +103 -56
  3. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/pyproject.toml +1 -1
  4. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/dependabot.yml +0 -0
  5. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/release-drafter.yml +0 -0
  6. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/delete-old-runs.yml +0 -0
  7. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/ossar-analysis.yml +0 -0
  8. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/pypi-publish.yml +0 -0
  9. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/release-drafter.yml +0 -0
  10. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/test-code.yaml +0 -0
  11. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/test-ipynb.yml +0 -0
  12. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/test-package.yaml +0 -0
  13. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.github/workflows/verify-pr-labels.yml +0 -0
  14. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/.gitignore +0 -0
  15. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/CONTRIBUTING.md +0 -0
  16. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/DEVELOPMENT.md +0 -0
  17. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/LICENSE +0 -0
  18. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/README.md +0 -0
  19. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/CFML.py +0 -0
  20. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/GSASII.py +0 -0
  21. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/__init__.py +0 -0
  22. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/cryspy.py +0 -0
  23. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/cryspyV2.py +0 -0
  24. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/interfaceTemplate.py +0 -0
  25. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/pdffit2.py +0 -0
  26. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Interfaces/types.py +0 -0
  27. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Job.py +0 -0
  28. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Jobs.py +0 -0
  29. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/Analysis.py +0 -0
  30. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/Container.py +0 -0
  31. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/Experiment.py +0 -0
  32. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/JobType.py +0 -0
  33. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/P1D.py +0 -0
  34. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/Sample.py +0 -0
  35. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/__init__.py +0 -0
  36. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Profiles/common.py +0 -0
  37. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/Runner.py +0 -0
  38. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/__init__.py +0 -0
  39. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/calculators/CFML.py +0 -0
  40. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/calculators/GSASII.py +0 -0
  41. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/calculators/__init__.py +0 -0
  42. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/calculators/cryspy.py +0 -0
  43. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/calculators/pdffit2.py +0 -0
  44. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/components/__init__.py +0 -0
  45. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/components/phase.py +0 -0
  46. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/components/polarization.py +0 -0
  47. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/components/site.py +0 -0
  48. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Backgrounds/Background.py +0 -0
  49. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Backgrounds/Factorial.py +0 -0
  50. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Backgrounds/Point.py +0 -0
  51. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Backgrounds/__init__.py +0 -0
  52. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Experiments/Experiment.py +0 -0
  53. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Experiments/Pattern.py +0 -0
  54. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/Experiments/__init__.py +0 -0
  55. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/elements/__init__.py +0 -0
  56. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/interface.py +0 -0
  57. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/__init__.py +0 -0
  58. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/cif.py +0 -0
  59. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/cif_reader.py +0 -0
  60. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/cryspy_parser.py +0 -0
  61. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/download.py +0 -0
  62. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/io/helpers.py +0 -0
  63. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/main.py +0 -0
  64. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/easydiffraction/sample.py +0 -0
  65. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Define-experiment.ipynb +0 -0
  66. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Define-model.ipynb +0 -0
  67. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Fitting-emcee_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
  68. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Fitting_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
  69. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Fitting_pd-neut-tof_NCAF-WISH.ipynb +0 -0
  70. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Fitting_pd-neut-tof_Si-SEPD.ipynb +0 -0
  71. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Simulation_pd-xray_NaCl.ipynb +0 -0
  72. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/d1a.cif +0 -0
  73. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/hrpt.xye +0 -0
  74. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/lbco.cif +0 -0
  75. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/lbco_adp.cif +0 -0
  76. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/ncaf.cif +0 -0
  77. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/sepd.xye +0 -0
  78. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/si.cif +0 -0
  79. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/data/wish.xye +0 -0
  80. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/3T2@LLB.xye +0 -0
  81. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/D1A@ILL.xye +0 -0
  82. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting.ipynb +0 -0
  83. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.ipynb +0 -0
  84. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.py +0 -0
  85. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/hrpt.xye +0 -0
  86. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting copy.py +0 -0
  87. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.ipynb +0 -0
  88. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.py +0 -0
  89. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/sepd.xye +0 -0
  90. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/si.cif +0 -0
  91. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_TOF.ipynb +0 -0
  92. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_TOF_xye.ipynb +0 -0
  93. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Fitting_multiphase.ipynb +0 -0
  94. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/Calculate_PDF_Profile_Ni.ipynb +0 -0
  95. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/Fitting_PDF_Profile_Ni.ipynb +0 -0
  96. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/Fitting_PDF_Profile_Si.ipynb +0 -0
  97. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/4507226.cif +0 -0
  98. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Ni-xray.gr +0 -0
  99. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Ni.cif +0 -0
  100. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Si_calibration_cryostat_100A.fgr +0 -0
  101. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Si_calibration_cryostat_20A.fgr +0 -0
  102. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Si_calibration_cryostat_20A_01Rmin.fgr +0 -0
  103. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Si_calibration_cryostat_50A.fgr +0 -0
  104. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF/data/Si_calibration_cryostat_50A_01Rmin.fgr +0 -0
  105. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Calculate_PDF_Profile.ipynb +0 -0
  106. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Fitting_PDF_Profile.ipynb +0 -0
  107. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Ni-xray.gr +0 -0
  108. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Ni.cif +0 -0
  109. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Ni_fitting.py +0 -0
  110. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PDF2/Ni_profile.py +0 -0
  111. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PbSO4.cif +0 -0
  112. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/PolNPD5T.cif +0 -0
  113. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Polarized.ipynb +0 -0
  114. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Simulation.ipynb +0 -0
  115. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/Simulation_xray.ipynb +0 -0
  116. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/calc_chisq.py +0 -0
  117. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_PbSO4-D1A@ILL.rcif +0 -0
  118. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_unpolarized_tof_powder_Si.rcif +0 -0
  119. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/refinement.py +0 -0
  120. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/rhochi_unpolarized_tof_powder_CeCuAl.rcif +0 -0
  121. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDB/experiments/d1a.cif +0 -0
  122. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDB/models/pbso4.cif +0 -0
  123. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDB/models/pbso4_dark.png +0 -0
  124. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDB/project.cif +0 -0
  125. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDB/summary/report.cif +0 -0
  126. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDL/D1A@ILL.xye +0 -0
  127. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDL/PbSO4.cif +0 -0
  128. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/TestingAPI/EDL/TestingAPI.py +0 -0
  129. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/advanced/refinement_bumps_dream.ipynb +0 -0
  130. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/advanced/refinement_emcee.ipynb +0 -0
  131. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/d1a.cif +0 -0
  132. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/diamond_exp.xye +0 -0
  133. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/diamond_phase.cif +0 -0
  134. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/experiment_polarized.xye +0 -0
  135. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/multiphase.cif +0 -0
  136. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/ncaf.cif +0 -0
  137. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/structure_polarized.cif +0 -0
  138. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples_old/wish.cif +0 -0
  139. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/__init__.py +0 -0
  140. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/CFML_Cryspy.png +0 -0
  141. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/FittingData.ipynb +0 -0
  142. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/FittingData_CFML-xarrays.ipynb +0 -0
  143. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/FittingData_CFML.ipynb +0 -0
  144. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/PbSO4.cif +0 -0
  145. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/PbSO4_neutrons_short.xye +0 -0
  146. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/PbSO4_xrays_short.xye +0 -0
  147. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/SrTiO3.cif +0 -0
  148. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/WorkedExample2.ipynb +0 -0
  149. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/fit_script.py +0 -0
  150. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/test1.py +0 -0
  151. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/test3.py +0 -0
  152. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/workedExample1.ipynb +0 -0
  153. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/integration_tests/xarray_test.ipynb +0 -0
  154. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/resources/PbSO4.cif +0 -0
  155. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/resources/PolNPD5T.cif +0 -0
  156. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/resources/d1a.cif +0 -0
  157. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Calculators/__init__.py +0 -0
  158. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Elements/__init__.py +0 -0
  159. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Interfaces/__init__.py +0 -0
  160. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Profiles/__init__.py +0 -0
  161. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Profiles/test_Experiment.py +0 -0
  162. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/Profiles/test_JobType.py +0 -0
  163. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/__init__.py +0 -0
  164. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/test_Job.py +0 -0
  165. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/test_Jobs.py +0 -0
  166. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/test_Runner.py +0 -0
  167. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/test_interface.py +0 -0
  168. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tests/unit_tests/test_sample.py +0 -0
  169. {easydiffraction-0.1.5 → easydiffraction-0.1.6}/tools/Scripts/generate_html.py +0 -0
{easydiffraction-0.1.5 → easydiffraction-0.1.6}/PKG-INFO RENAMED
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  Metadata-Version: 2.3
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  Name: easydiffraction
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- Version: 0.1.5
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  Summary: Making diffraction data analysis and modelling easy
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  Project-URL: homepage, https://easydiffraction.org
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  Project-URL: documentation, https://docs.easydiffraction.org/lib
{easydiffraction-0.1.5 → easydiffraction-0.1.6}/examples/Change-minimizer.ipynb RENAMED
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+ "end_time": "2024-11-13T14:10:16.579926Z",
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+ "start_time": "2024-11-13T14:10:16.568856Z"
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  }
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  },
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  "outputs": [],
@@ -107,8 +107,8 @@
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  "id": "24986ea0",
108
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  "metadata": {
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  "ExecuteTime": {
110
- "end_time": "2024-11-11T21:06:43.693754Z",
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- "start_time": "2024-11-11T21:06:43.691969Z"
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+ "end_time": "2024-11-13T14:10:16.867160Z",
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+ "start_time": "2024-11-13T14:10:16.865112Z"
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  }
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  },
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  "outputs": [],
@@ -130,8 +130,8 @@
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  "id": "fa85e088",
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:43.977210Z",
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- "start_time": "2024-11-11T21:06:43.697182Z"
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+ "end_time": "2024-11-13T14:10:17.176205Z",
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+ "start_time": "2024-11-13T14:10:16.871438Z"
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  }
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  },
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  "outputs": [],
@@ -154,8 +154,8 @@
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  "id": "b81b8f7b",
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  "metadata": {
156
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  "ExecuteTime": {
157
- "end_time": "2024-11-11T21:06:43.987503Z",
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- "start_time": "2024-11-11T21:06:43.981188Z"
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+ "end_time": "2024-11-13T14:10:17.194580Z",
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+ "start_time": "2024-11-13T14:10:17.187924Z"
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  }
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  },
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  "outputs": [],
@@ -178,8 +178,8 @@
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  "id": "6f0bed76",
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  "metadata": {
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  "ExecuteTime": {
181
- "end_time": "2024-11-11T21:06:43.997974Z",
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- "start_time": "2024-11-11T21:06:43.991057Z"
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+ "end_time": "2024-11-13T14:10:17.297025Z",
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+ "start_time": "2024-11-13T14:10:17.288934Z"
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  }
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  },
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  "outputs": [],
@@ -194,6 +194,53 @@
194
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  "source": [
195
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  "## Define an experiment\n",
196
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  "\n",
197
+ "Download the data file from the EasyDiffraction repository on GitHub"
198
+ ]
199
+ },
200
+ {
201
+ "cell_type": "code",
202
+ "execution_count": null,
203
+ "id": "22c4a4f89a00aab",
204
+ "metadata": {
205
+ "ExecuteTime": {
206
+ "end_time": "2024-11-13T14:10:17.309425Z",
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+ "start_time": "2024-11-13T14:10:17.307632Z"
208
+ }
209
+ },
210
+ "outputs": [],
211
+ "source": [
212
+ "ed.download_from_repository('hrpt.xye', destination='data')"
213
+ ]
214
+ },
215
+ {
216
+ "cell_type": "markdown",
217
+ "id": "40fa8c065d51f67a",
218
+ "metadata": {},
219
+ "source": [
220
+ "Show content of the downloaded file (first 6 lines)"
221
+ ]
222
+ },
223
+ {
224
+ "cell_type": "code",
225
+ "execution_count": null,
226
+ "id": "eb740ee1d3affd95",
227
+ "metadata": {
228
+ "ExecuteTime": {
229
+ "end_time": "2024-11-13T14:10:17.330106Z",
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+ "start_time": "2024-11-13T14:10:17.320694Z"
231
+ }
232
+ },
233
+ "outputs": [],
234
+ "source": [
235
+ "with open('data/hrpt.xye') as f:\n",
236
+ " print(''.join(f.readlines()[:6]))"
237
+ ]
238
+ },
239
+ {
240
+ "cell_type": "markdown",
241
+ "id": "f07900c4c1c03445",
242
+ "metadata": {},
243
+ "source": [
197
244
  "Load experimentally measured data from a file in XYE format"
198
245
  ]
199
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  },
@@ -203,8 +250,8 @@
203
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  "id": "997f98ef",
204
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  "metadata": {
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  "ExecuteTime": {
206
- "end_time": "2024-11-11T21:06:44.079121Z",
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- "start_time": "2024-11-11T21:06:44.001661Z"
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+ "end_time": "2024-11-13T14:10:17.476954Z",
254
+ "start_time": "2024-11-13T14:10:17.406192Z"
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  }
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  },
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  "outputs": [],
@@ -226,8 +273,8 @@
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  "id": "d45c9272",
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:44.256020Z",
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- "start_time": "2024-11-11T21:06:44.107707Z"
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+ "end_time": "2024-11-13T14:10:17.903805Z",
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+ "start_time": "2024-11-13T14:10:17.481192Z"
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  }
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  },
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  "outputs": [],
@@ -249,8 +296,8 @@
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  "id": "5ade4b9b",
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:44.325386Z",
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- "start_time": "2024-11-11T21:06:44.322510Z"
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+ "end_time": "2024-11-13T14:10:18.083580Z",
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+ "start_time": "2024-11-13T14:10:18.080154Z"
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  }
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  },
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  "outputs": [],
@@ -275,8 +322,8 @@
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  "id": "58965e36",
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  "metadata": {
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  "ExecuteTime": {
278
- "end_time": "2024-11-11T21:06:44.344551Z",
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- "start_time": "2024-11-11T21:06:44.329177Z"
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+ "end_time": "2024-11-13T14:10:18.103059Z",
326
+ "start_time": "2024-11-13T14:10:18.086242Z"
280
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  }
281
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  },
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  "outputs": [],
@@ -300,8 +347,8 @@
300
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  "id": "642f9924",
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  "metadata": {
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  "ExecuteTime": {
303
- "end_time": "2024-11-11T21:06:44.421239Z",
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- "start_time": "2024-11-11T21:06:44.354510Z"
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+ "end_time": "2024-11-13T14:10:18.224508Z",
351
+ "start_time": "2024-11-13T14:10:18.122943Z"
305
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  }
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  },
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  "outputs": [],
@@ -323,8 +370,8 @@
323
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  "id": "fef4d575",
324
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  "metadata": {
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  "ExecuteTime": {
326
- "end_time": "2024-11-11T21:06:44.442116Z",
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- "start_time": "2024-11-11T21:06:44.440670Z"
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+ "end_time": "2024-11-13T14:10:18.261294Z",
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+ "start_time": "2024-11-13T14:10:18.259426Z"
328
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  }
329
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  },
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  "outputs": [],
@@ -347,8 +394,8 @@
347
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  "id": "2445edcf",
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:44.526475Z",
351
- "start_time": "2024-11-11T21:06:44.445947Z"
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+ "end_time": "2024-11-13T14:10:18.342937Z",
398
+ "start_time": "2024-11-13T14:10:18.265919Z"
352
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  }
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  },
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  "outputs": [],
@@ -371,8 +418,8 @@
371
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  "id": "dee18833",
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  "metadata": {
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  "ExecuteTime": {
374
- "end_time": "2024-11-11T21:06:44.547956Z",
375
- "start_time": "2024-11-11T21:06:44.545493Z"
421
+ "end_time": "2024-11-13T14:10:18.382511Z",
422
+ "start_time": "2024-11-13T14:10:18.379542Z"
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  }
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  },
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  "outputs": [],
@@ -400,8 +447,8 @@
400
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  "id": "9825dd71",
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  "metadata": {
402
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  "ExecuteTime": {
403
- "end_time": "2024-11-11T21:06:44.626379Z",
404
- "start_time": "2024-11-11T21:06:44.551719Z"
450
+ "end_time": "2024-11-13T14:10:18.463398Z",
451
+ "start_time": "2024-11-13T14:10:18.387901Z"
405
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  }
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  },
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  "outputs": [],
@@ -430,8 +477,8 @@
430
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  "id": "809f4e54",
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  "metadata": {
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  "ExecuteTime": {
433
- "end_time": "2024-11-11T21:06:44.651850Z",
434
- "start_time": "2024-11-11T21:06:44.645435Z"
480
+ "end_time": "2024-11-13T14:10:18.504003Z",
481
+ "start_time": "2024-11-13T14:10:18.494106Z"
435
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  }
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  },
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  "outputs": [],
@@ -453,8 +500,8 @@
453
500
  "id": "a13a50aa",
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:44.658021Z",
457
- "start_time": "2024-11-11T21:06:44.656360Z"
503
+ "end_time": "2024-11-13T14:10:18.514803Z",
504
+ "start_time": "2024-11-13T14:10:18.512657Z"
458
505
  }
459
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  },
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  "outputs": [],
@@ -476,8 +523,8 @@
476
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  "id": "a6bed955",
477
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  "metadata": {
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525
  "ExecuteTime": {
479
- "end_time": "2024-11-11T21:06:48.414972Z",
480
- "start_time": "2024-11-11T21:06:44.661763Z"
526
+ "end_time": "2024-11-13T14:10:21.906812Z",
527
+ "start_time": "2024-11-13T14:10:18.525974Z"
481
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  }
482
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  },
483
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  "outputs": [],
@@ -499,8 +546,8 @@
499
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  "id": "cac61f2f",
500
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  "metadata": {
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  "ExecuteTime": {
502
- "end_time": "2024-11-11T21:06:48.422690Z",
503
- "start_time": "2024-11-11T21:06:48.418943Z"
549
+ "end_time": "2024-11-13T14:10:21.916037Z",
550
+ "start_time": "2024-11-13T14:10:21.912413Z"
504
551
  }
505
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  },
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  "outputs": [],
@@ -522,8 +569,8 @@
522
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  "id": "ea035e96",
523
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  "metadata": {
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  "ExecuteTime": {
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- "end_time": "2024-11-11T21:06:48.496337Z",
526
- "start_time": "2024-11-11T21:06:48.426692Z"
572
+ "end_time": "2024-11-13T14:10:21.992757Z",
573
+ "start_time": "2024-11-13T14:10:21.923144Z"
527
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  }
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  },
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  "outputs": [],
@@ -545,8 +592,8 @@
545
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  "id": "17c993e6",
546
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  "metadata": {
547
594
  "ExecuteTime": {
548
- "end_time": "2024-11-11T21:06:48.526513Z",
549
- "start_time": "2024-11-11T21:06:48.524479Z"
595
+ "end_time": "2024-11-13T14:10:22.206849Z",
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+ "start_time": "2024-11-13T14:10:22.204734Z"
550
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  }
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  },
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  "outputs": [],
@@ -569,8 +616,8 @@
569
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  "id": "243b8848",
570
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  "metadata": {
571
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  "ExecuteTime": {
572
- "end_time": "2024-11-11T21:06:48.534130Z",
573
- "start_time": "2024-11-11T21:06:48.532286Z"
619
+ "end_time": "2024-11-13T14:10:22.228843Z",
620
+ "start_time": "2024-11-13T14:10:22.226856Z"
574
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  }
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  },
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  "outputs": [],
@@ -593,8 +640,8 @@
593
640
  "id": "9807fc07",
594
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  "metadata": {
595
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  "ExecuteTime": {
596
- "end_time": "2024-11-11T21:06:48.614789Z",
597
- "start_time": "2024-11-11T21:06:48.537995Z"
643
+ "end_time": "2024-11-13T14:10:22.322421Z",
644
+ "start_time": "2024-11-13T14:10:22.237935Z"
598
645
  }
599
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  },
600
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  "outputs": [],
@@ -623,8 +670,8 @@
623
670
  "id": "812b4c41",
624
671
  "metadata": {
625
672
  "ExecuteTime": {
626
- "end_time": "2024-11-11T21:06:48.636653Z",
627
- "start_time": "2024-11-11T21:06:48.632895Z"
673
+ "end_time": "2024-11-13T14:10:22.350487Z",
674
+ "start_time": "2024-11-13T14:10:22.346055Z"
628
675
  }
629
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  },
630
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  "outputs": [],
@@ -646,8 +693,8 @@
646
693
  "id": "6d1d7529",
647
694
  "metadata": {
648
695
  "ExecuteTime": {
649
- "end_time": "2024-11-11T21:06:52.309206Z",
650
- "start_time": "2024-11-11T21:06:48.640679Z"
696
+ "end_time": "2024-11-13T14:10:26.009988Z",
697
+ "start_time": "2024-11-13T14:10:22.355089Z"
651
698
  }
652
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  },
653
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  "outputs": [],
@@ -669,8 +716,8 @@
669
716
  "id": "b1df0bcd",
670
717
  "metadata": {
671
718
  "ExecuteTime": {
672
- "end_time": "2024-11-11T21:06:52.317609Z",
673
- "start_time": "2024-11-11T21:06:52.314159Z"
719
+ "end_time": "2024-11-13T14:10:26.018749Z",
720
+ "start_time": "2024-11-13T14:10:26.015170Z"
674
721
  }
675
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  },
676
723
  "outputs": [],
@@ -692,8 +739,8 @@
692
739
  "id": "06b61649",
693
740
  "metadata": {
694
741
  "ExecuteTime": {
695
- "end_time": "2024-11-11T21:06:52.392410Z",
696
- "start_time": "2024-11-11T21:06:52.321697Z"
742
+ "end_time": "2024-11-13T14:10:26.096158Z",
743
+ "start_time": "2024-11-13T14:10:26.024381Z"
697
744
  }
698
745
  },
699
746
  "outputs": [],
{easydiffraction-0.1.5 → easydiffraction-0.1.6}/pyproject.toml RENAMED
@@ -2,7 +2,7 @@
2
2
 
3
3
  [project]
4
4
  name = 'easydiffraction'
5
- version = '0.1.5'
5
+ version = '0.1.6'
6
6
  description = 'Making diffraction data analysis and modelling easy'
7
7
  authors = [{ name = 'EasyDiffraction contributors', email = 'support@easydiffraction.org' }]
8
8
  readme = 'README.md'
{easydiffraction-0.1.5 → easydiffraction-0.1.6}/LICENSE RENAMED
File without changes