masster 0.4.0__py3-none-any.whl → 0.4.1__py3-none-any.whl

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 (54) hide show
  1. masster/__init__.py +8 -8
  2. masster/_version.py +1 -1
  3. masster/chromatogram.py +3 -9
  4. masster/data/libs/README.md +1 -1
  5. masster/data/libs/ccm.csv +120 -120
  6. masster/data/libs/ccm.py +116 -62
  7. masster/data/libs/central_carbon_README.md +1 -1
  8. masster/data/libs/urine.py +161 -65
  9. masster/data/libs/urine_metabolites.csv +4693 -4693
  10. masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML +2 -2
  11. masster/logger.py +43 -78
  12. masster/sample/__init__.py +1 -1
  13. masster/sample/adducts.py +264 -338
  14. masster/sample/defaults/find_adducts_def.py +8 -21
  15. masster/sample/defaults/find_features_def.py +1 -6
  16. masster/sample/defaults/get_spectrum_def.py +1 -5
  17. masster/sample/defaults/sample_def.py +1 -5
  18. masster/sample/h5.py +282 -561
  19. masster/sample/helpers.py +75 -131
  20. masster/sample/lib.py +17 -42
  21. masster/sample/load.py +17 -31
  22. masster/sample/parameters.py +2 -6
  23. masster/sample/plot.py +27 -88
  24. masster/sample/processing.py +87 -117
  25. masster/sample/quant.py +51 -57
  26. masster/sample/sample.py +90 -103
  27. masster/sample/sample5_schema.json +44 -44
  28. masster/sample/save.py +12 -35
  29. masster/sample/sciex.py +19 -66
  30. masster/spectrum.py +20 -58
  31. masster/study/__init__.py +1 -1
  32. masster/study/defaults/align_def.py +1 -5
  33. masster/study/defaults/fill_chrom_def.py +1 -5
  34. masster/study/defaults/fill_def.py +1 -5
  35. masster/study/defaults/integrate_chrom_def.py +1 -5
  36. masster/study/defaults/integrate_def.py +1 -5
  37. masster/study/defaults/study_def.py +25 -58
  38. masster/study/export.py +207 -233
  39. masster/study/h5.py +136 -470
  40. masster/study/helpers.py +202 -495
  41. masster/study/helpers_optimized.py +13 -40
  42. masster/study/id.py +110 -213
  43. masster/study/load.py +143 -230
  44. masster/study/plot.py +257 -518
  45. masster/study/processing.py +257 -469
  46. masster/study/save.py +5 -15
  47. masster/study/study.py +276 -379
  48. masster/study/study5_schema.json +96 -96
  49. {masster-0.4.0.dist-info → masster-0.4.1.dist-info}/METADATA +1 -1
  50. masster-0.4.1.dist-info/RECORD +67 -0
  51. masster-0.4.0.dist-info/RECORD +0 -67
  52. {masster-0.4.0.dist-info → masster-0.4.1.dist-info}/WHEEL +0 -0
  53. {masster-0.4.0.dist-info → masster-0.4.1.dist-info}/entry_points.txt +0 -0
  54. {masster-0.4.0.dist-info → masster-0.4.1.dist-info}/licenses/LICENSE +0 -0

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