pyccapt 0.2.0__tar.gz → 0.2.2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (313) hide show
  1. pyccapt-0.2.2/CHANGELOG.txt +28 -0
  2. {pyccapt-0.2.0 → pyccapt-0.2.2}/LICENSE +674 -674
  3. {pyccapt-0.2.0 → pyccapt-0.2.2}/MANIFEST.in +16 -16
  4. {pyccapt-0.2.0 → pyccapt-0.2.2}/PKG-INFO +378 -341
  5. {pyccapt-0.2.0 → pyccapt-0.2.2}/README.md +245 -221
  6. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/__init__.py +3 -3
  7. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/CALIBRATION.md +87 -67
  8. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/DATA_STRUCTURE.md +61 -58
  9. {pyccapt-0.2.0/pyccapt/control/thorlabs_apt → pyccapt-0.2.2/pyccapt/calibration}/__init__.py +2 -1
  10. pyccapt-0.2.2/pyccapt/calibration/clustering/__init__.py +31 -0
  11. pyccapt-0.2.2/pyccapt/calibration/clustering/clustering.py +827 -0
  12. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/clustering/isosurface.py +270 -270
  13. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/__init__.py +15 -13
  14. pyccapt-0.2.2/pyccapt/calibration/core/adaptive_residual_calibration.py +492 -0
  15. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/background.py +10 -10
  16. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/calibration.py +1449 -838
  17. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/correction_models.py +129 -87
  18. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/diagnostics.py +131 -130
  19. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/exceptions.py +13 -13
  20. pyccapt-0.2.2/pyccapt/calibration/core/flight_path_t0.py +442 -0
  21. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/gui_ion_select.py +182 -182
  22. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/hist_bin_optimizer.py +190 -190
  23. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/interactive_point_identification.py +134 -134
  24. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/ion_selection.py +726 -659
  25. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/logging_library.py +66 -66
  26. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/mc_plot.py +639 -569
  27. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/mc_plot_api.py +255 -230
  28. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/mc_plot_background_helpers.py +176 -176
  29. pyccapt-0.2.2/pyccapt/calibration/core/mc_plot_peak_helpers.py +1102 -0
  30. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/mc_plot_selector_helpers.py +53 -53
  31. pyccapt-0.2.2/pyccapt/calibration/core/ml_calibration.py +361 -0
  32. pyccapt-0.2.2/pyccapt/calibration/core/peak_spectral_analysis.py +331 -0
  33. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/share_variables.py +386 -235
  34. pyccapt-0.2.2/pyccapt/calibration/core/spectrum_simulation.py +90 -0
  35. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/tools.py +415 -380
  36. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/validation.py +91 -72
  37. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/core/widgets.py +313 -297
  38. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/__init__.py +1 -1
  39. pyccapt-0.2.2/pyccapt/calibration/data_tools/_raw_workflow_common.py +672 -0
  40. pyccapt-0.2.2/pyccapt/calibration/data_tools/_raw_workflow_roentdek.py +383 -0
  41. pyccapt-0.2.2/pyccapt/calibration/data_tools/_raw_workflow_surface_concept.py +562 -0
  42. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/ato_tools.py +168 -166
  43. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/data_loadcrop.py +855 -679
  44. pyccapt-0.2.2/pyccapt/calibration/data_tools/data_tools.py +626 -0
  45. pyccapt-0.2.2/pyccapt/calibration/data_tools/dataset_path_qt.py +52 -0
  46. pyccapt-0.2.2/pyccapt/calibration/data_tools/file_dialog.py +42 -0
  47. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/merge_range.py +55 -55
  48. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/plot_vline_draw.py +130 -130
  49. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/raw_data_surface_concept.py +455 -514
  50. pyccapt-0.2.2/pyccapt/calibration/data_tools/raw_data_workflow.py +123 -0
  51. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/run_dataset_path_qt.py +12 -11
  52. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/data_tools/selectors_data.py +98 -90
  53. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/leap_tools/__init__.py +5 -1
  54. pyccapt-0.2.2/pyccapt/calibration/leap_tools/cameca_raw/README.md +20 -0
  55. pyccapt-0.2.2/pyccapt/calibration/leap_tools/cameca_raw/__init__.py +35 -0
  56. pyccapt-0.2.2/pyccapt/calibration/leap_tools/cameca_raw/rhit_extract.py +7 -0
  57. pyccapt-0.2.2/pyccapt/calibration/leap_tools/cameca_raw/rhit_tools.py +589 -0
  58. pyccapt-0.2.2/pyccapt/calibration/leap_tools/cameca_raw/str_tools.py +445 -0
  59. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/leap_tools/ccapt_tools.py +197 -189
  60. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/leap_tools/cloud_plotter.py +143 -138
  61. pyccapt-0.2.2/pyccapt/calibration/leap_tools/leap_tools.py +968 -0
  62. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/mc/__init__.py +1 -1
  63. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/mc/mc_tools.py +106 -106
  64. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/mc/tof_tools.py +32 -32
  65. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/path_utils.py +42 -42
  66. pyccapt-0.2.2/pyccapt/calibration/reconstructions/__init__.py +5 -0
  67. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/crystal_helper.py +357 -356
  68. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/density_map.py +233 -233
  69. pyccapt-0.2.2/pyccapt/calibration/reconstructions/fft.py +117 -0
  70. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/io_utils.py +81 -81
  71. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/iso_surface.py +1223 -878
  72. pyccapt-0.2.2/pyccapt/calibration/reconstructions/proxigram.py +236 -0
  73. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/rdf.py +134 -130
  74. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/reconstruction.py +1155 -1098
  75. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/rotation_tools.py +108 -108
  76. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/calibration/reconstructions/sdm.py +522 -513
  77. pyccapt-0.2.2/pyccapt/calibration/reconstructions/specimen_builder.py +173 -0
  78. pyccapt-0.2.2/pyccapt/calibration/reconstructions/tapsim_builder.py +1043 -0
  79. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/__init__.py +31 -0
  80. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/core.py +387 -0
  81. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/3000XHR_Leoben_21_14093_intersections.csv +193 -0
  82. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/3000XHR_Leoben_21_14093_reference.csv +161 -0
  83. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/3000XHR_Leoben_21_14093_triangles.csv +334 -0
  84. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/4000XHR_Erlangen_56_4833_intersections.csv +193 -0
  85. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/4000XHR_Erlangen_56_4833_reference.csv +161 -0
  86. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/4000XHR_Erlangen_56_4833_triangles.csv +334 -0
  87. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Leoben_5124_368_intersections.csv +193 -0
  88. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Leoben_5124_368_reference.csv +161 -0
  89. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Leoben_5124_368_triangles.csv +334 -0
  90. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Oxford_5083_23091_intersections.csv +193 -0
  91. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Oxford_5083_23091_reference.csv +161 -0
  92. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/5000XR_Oxford_5083_23091_triangles.csv +334 -0
  93. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/6000XR_Chalmers_6002_770_intersections.csv +193 -0
  94. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/6000XR_Chalmers_6002_770_reference.csv +161 -0
  95. pyccapt-0.2.2/pyccapt/calibration/reflectron_correction/data/presets/6000XR_Chalmers_6002_770_triangles.csv +335 -0
  96. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/config.toml +88 -74
  97. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/CONTROL.md +93 -93
  98. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/DATA_STRUCTURE.md +67 -67
  99. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/__init__.py +13 -13
  100. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/__main__.py +48 -48
  101. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/apt/apt_exp_control.py +715 -704
  102. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/apt/apt_exp_control_func.py +218 -218
  103. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/apt/detector_runtime.py +77 -77
  104. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/apt/experiment_state.py +212 -212
  105. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/baking_loging.py +218 -218
  106. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/com_ports.py +17 -17
  107. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/control_data_tool.py +296 -296
  108. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/device_checks.py +245 -245
  109. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/experiment_statistics.py +85 -85
  110. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/hdf5_creator.py +185 -146
  111. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/loggi.py +33 -33
  112. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/read_files.py +133 -133
  113. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/runtime.py +117 -117
  114. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/share_variables.py +382 -382
  115. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/core/tof2mc_simple.py +32 -32
  116. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/camera.py +348 -348
  117. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/edwards_tic.py +43 -43
  118. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/email_send.py +63 -63
  119. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/initialize_devices.py +531 -520
  120. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/pfeiffer_gauges.py +204 -204
  121. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/devices/signal_generator.py +105 -105
  122. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/drs/README.md +3 -3
  123. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/drs/drs.py +107 -107
  124. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/electrode.toml +17 -17
  125. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_baking.py +468 -468
  126. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_cameras.py +762 -762
  127. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_gates.py +464 -464
  128. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_laser_control.py +1014 -1014
  129. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_main.py +1981 -1981
  130. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_pumps_vacuum.py +1049 -1007
  131. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_stage_control.py +294 -294
  132. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/gui_visualization.py +1243 -1243
  133. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/main_parameters.py +320 -320
  134. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/gui/process_coordinator.py +102 -102
  135. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/nkt_photonics/nktpbus_activate.py +40 -40
  136. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/nkt_photonics/origamiClassCLI.py +360 -360
  137. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/README.md +3 -3
  138. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/cobold_tool.py +208 -208
  139. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/global.cfg +18 -18
  140. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/source/global.cfg +18 -18
  141. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/source/lmf2txt.exe +0 -0
  142. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_roentdek/tdc_roentdek.py +179 -179
  143. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_surface_concept/README.md +3 -3
  144. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_surface_concept/scTDC.py +1493 -1456
  145. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_surface_concept/tdc_gpx3.ini +168 -168
  146. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/tdc_surface_concept/tdc_surface_concept.py +439 -439
  147. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/thorlabs_apt/README.md +55 -55
  148. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/thorlabs_apt/_APTAPI.py +183 -183
  149. {pyccapt-0.2.0/pyccapt/control/usb_switch → pyccapt-0.2.2/pyccapt/control/thorlabs_apt}/__init__.py +1 -1
  150. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/thorlabs_apt/_error_codes.py +55 -55
  151. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/thorlabs_apt/core.py +1395 -1395
  152. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/thorlabs_apt/thorlab_motor.py +44 -44
  153. pyccapt-0.2.2/pyccapt/control/usb_switch/__init__.py +1 -0
  154. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/control/usb_switch/usb_switch.py +52 -52
  155. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/README.md +6 -6
  156. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_baking.ui +64 -64
  157. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_cameras.ui +620 -620
  158. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_gates.ui +271 -271
  159. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_laser_control.ui +920 -920
  160. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_laser_control_special.ui +288 -288
  161. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_main.ui +1733 -1733
  162. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_pumps_vacuum.ui +744 -744
  163. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_stage_control.ui +386 -386
  164. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt/files/PyQt6_UI/gui_visualization.ui +639 -639
  165. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt.egg-info/PKG-INFO +378 -341
  166. {pyccapt-0.2.0 → pyccapt-0.2.2}/pyccapt.egg-info/SOURCES.txt +36 -71
  167. pyccapt-0.2.2/pyproject.toml +51 -0
  168. {pyccapt-0.2.0 → pyccapt-0.2.2}/setup.cfg +4 -4
  169. {pyccapt-0.2.0 → pyccapt-0.2.2}/setup.py +147 -146
  170. pyccapt-0.2.0/.eggs/pytest_runner-6.0.1-py3.12.egg/ptr/__init__.py +0 -216
  171. pyccapt-0.2.0/.eggs/pytest_runner-6.0.1-py3.9.egg/ptr/__init__.py +0 -216
  172. pyccapt-0.2.0/CHANGELOG.txt +0 -8
  173. pyccapt-0.2.0/docs/conf.py +0 -134
  174. pyccapt-0.2.0/pyccapt/calibration/__init__.py +0 -13
  175. pyccapt-0.2.0/pyccapt/calibration/clustering/__init__.py +0 -17
  176. pyccapt-0.2.0/pyccapt/calibration/clustering/clustering.py +0 -220
  177. pyccapt-0.2.0/pyccapt/calibration/core/mc_plot_peak_helpers.py +0 -242
  178. pyccapt-0.2.0/pyccapt/calibration/data_tools/data_tools.py +0 -283
  179. pyccapt-0.2.0/pyccapt/calibration/data_tools/dataset_path_qt.py +0 -28
  180. pyccapt-0.2.0/pyccapt/calibration/leap_tools/leap_tools.py +0 -559
  181. pyccapt-0.2.0/pyccapt/calibration/reconstructions/__init__.py +0 -5
  182. pyccapt-0.2.0/pyccapt/calibration/reconstructions/fft.py +0 -160
  183. pyccapt-0.2.0/pyccapt/calibration/tutorials/__init__.py +0 -1
  184. pyccapt-0.2.0/pyccapt/calibration/tutorials/tutorials_helpers/__init__.py +0 -1
  185. pyccapt-0.2.0/pyccapt/calibration/tutorials/tutorials_helpers/helper_3d_reconstruction.py +0 -131
  186. pyccapt-0.2.0/pyccapt/calibration/tutorials/tutorials_helpers/helper_calibration.py +0 -532
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@@ -0,0 +1,28 @@
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+ Change Log
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+ ==========
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+
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+ 0.2.2 (04.05.2026)
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+ -------------------
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+ - Add GitHub Actions CI: tests (matrix on Linux/Windows × Py 3.10/3.11/3.12),
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+ ruff lint, Sphinx docs build, GHCR Docker image, tag-driven PyPI release.
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+ - Document the tag-driven release runbook in CONTRIBUTING.md, including PyPI
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+ Trusted Publishing setup and recovery from failed releases.
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+ - Fix `store_df_to_hdf` calling `DataFrame.to_hdf` with a positional `key`
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+ on modern pandas (TypeError: takes 2 positional arguments but 3 given).
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+ - Make `_build_peak_template` skip-not-fail when a peak window has fewer
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+ than 25 ions, aligning the threshold with `_split_reference_peaks` so
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+ adaptive residual calibration degrades gracefully on sparse peaks.
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+ - Mock optional control-extra deps (PyQt6, pyqtgraph, pyserial, opencv,
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+ pyvisa) in docs/conf.py so the docs build runs in the calibration-only
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+ CI environment.
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+ - README badges: distinguish the docs CI badge (now "docs build") from the
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+ Read the Docs link badge.
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+ - Loosen the synthetic-fixture spread tolerance in
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+ test_adaptive_residual_calibration_reduces_windowed_peak_drift to 2x to
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+ match the metric's noise floor on small datasets.
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+
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+ 0.0.1 (23.03.2022)
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+ -------------------
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+ - First Release
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+
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+