masster 0.6.0__tar.gz → 0.6.2__tar.gz

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Files changed (72) hide show
  1. {masster-0.6.0 → masster-0.6.2}/PKG-INFO +3 -2
  2. {masster-0.6.0 → masster-0.6.2}/README.md +1 -0
  3. {masster-0.6.0 → masster-0.6.2}/pyproject.toml +2 -2
  4. {masster-0.6.0 → masster-0.6.2}/src/masster/_version.py +1 -1
  5. masster-0.6.2/src/masster/sample/importers.py +715 -0
  6. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/sample.py +8 -2
  7. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/save.py +724 -1
  8. {masster-0.6.0 → masster-0.6.2}/src/masster/study/export.py +216 -65
  9. masster-0.6.2/src/masster/study/importers.py +705 -0
  10. {masster-0.6.0 → masster-0.6.2}/src/masster/study/study.py +3 -3
  11. {masster-0.6.0 → masster-0.6.2}/src/masster/wizard/wizard.py +2 -2
  12. masster-0.6.0/src/masster/sample/importers.py +0 -316
  13. masster-0.6.0/src/masster/study/importers.py +0 -322
  14. {masster-0.6.0 → masster-0.6.2}/.gitignore +0 -0
  15. {masster-0.6.0 → masster-0.6.2}/LICENSE +0 -0
  16. {masster-0.6.0 → masster-0.6.2}/THIRD_PARTY_NOTICES.md +0 -0
  17. {masster-0.6.0 → masster-0.6.2}/src/masster/__init__.py +0 -0
  18. {masster-0.6.0 → masster-0.6.2}/src/masster/chromatogram.py +0 -0
  19. {masster-0.6.0 → masster-0.6.2}/src/masster/data/libs/aa_nort.json +0 -0
  20. {masster-0.6.0 → masster-0.6.2}/src/masster/data/libs/ccm_nort.json +0 -0
  21. {masster-0.6.0 → masster-0.6.2}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  22. {masster-0.6.0 → masster-0.6.2}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  23. {masster-0.6.0 → masster-0.6.2}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  24. {masster-0.6.0 → masster-0.6.2}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  25. {masster-0.6.0 → masster-0.6.2}/src/masster/lib/__init__.py +0 -0
  26. {masster-0.6.0 → masster-0.6.2}/src/masster/lib/lib.py +0 -0
  27. {masster-0.6.0 → masster-0.6.2}/src/masster/logger.py +0 -0
  28. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/__init__.py +0 -0
  29. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/adducts.py +0 -0
  30. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/__init__.py +0 -0
  31. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/find_adducts_def.py +0 -0
  32. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/find_features_def.py +0 -0
  33. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/find_ms2_def.py +0 -0
  34. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
  35. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/defaults/sample_def.py +0 -0
  36. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/h5.py +0 -0
  37. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/helpers.py +0 -0
  38. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/id.py +0 -0
  39. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/lib.py +0 -0
  40. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/load.py +0 -0
  41. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/parameters.py +0 -0
  42. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/plot.py +0 -0
  43. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/processing.py +0 -0
  44. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/quant.py +0 -0
  45. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/sample5_schema.json +0 -0
  46. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/sciex.py +0 -0
  47. {masster-0.6.0 → masster-0.6.2}/src/masster/sample/thermo.py +0 -0
  48. {masster-0.6.0 → masster-0.6.2}/src/masster/spectrum.py +0 -0
  49. {masster-0.6.0 → masster-0.6.2}/src/masster/study/__init__.py +0 -0
  50. {masster-0.6.0 → masster-0.6.2}/src/masster/study/analysis.py +0 -0
  51. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/__init__.py +0 -0
  52. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/align_def.py +0 -0
  53. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/export_def.py +0 -0
  54. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/fill_def.py +0 -0
  55. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/find_consensus_def.py +0 -0
  56. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/find_ms2_def.py +0 -0
  57. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/identify_def.py +0 -0
  58. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
  59. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/integrate_def.py +0 -0
  60. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/merge_def.py +0 -0
  61. {masster-0.6.0 → masster-0.6.2}/src/masster/study/defaults/study_def.py +0 -0
  62. {masster-0.6.0 → masster-0.6.2}/src/masster/study/h5.py +0 -0
  63. {masster-0.6.0 → masster-0.6.2}/src/masster/study/helpers.py +0 -0
  64. {masster-0.6.0 → masster-0.6.2}/src/masster/study/id.py +0 -0
  65. {masster-0.6.0 → masster-0.6.2}/src/masster/study/load.py +0 -0
  66. {masster-0.6.0 → masster-0.6.2}/src/masster/study/merge.py +0 -0
  67. {masster-0.6.0 → masster-0.6.2}/src/masster/study/parameters.py +0 -0
  68. {masster-0.6.0 → masster-0.6.2}/src/masster/study/plot.py +0 -0
  69. {masster-0.6.0 → masster-0.6.2}/src/masster/study/processing.py +0 -0
  70. {masster-0.6.0 → masster-0.6.2}/src/masster/study/save.py +0 -0
  71. {masster-0.6.0 → masster-0.6.2}/src/masster/study/study5_schema.json +0 -0
  72. {masster-0.6.0 → masster-0.6.2}/src/masster/wizard/__init__.py +0 -0
{masster-0.6.0 → masster-0.6.2}/PKG-INFO RENAMED
@@ -1,12 +1,12 @@
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  Metadata-Version: 2.4
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  Name: masster
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- Version: 0.6.0
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+ Version: 0.6.2
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  Summary: Mass spectrometry data analysis package
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  Project-URL: homepage, https://github.com/zamboni-lab/masster
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  Project-URL: repository, https://github.com/zamboni-lab/masster
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  Project-URL: documentation, https://github.com/zamboni-lab/masster#readme
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  Project-URL: Third-Party Licenses, https://github.com/zamboni-lab/masster/blob/main/THIRD_PARTY_NOTICES.md
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- Author: Zamboni Lab
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+ Author: Zamboni Lab, ETH Zurich
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  License: GNU AFFERO GENERAL PUBLIC LICENSE
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  Version 3, 19 November 2007
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@@ -833,6 +833,7 @@ study.save()
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  study.plot_samples_pca()
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  study.plot_samples_umap()
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  study.plot_samples_2d()
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+ study.plot_heatmap()
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  # To know more about the available methods...
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  dir(study)
{masster-0.6.0 → masster-0.6.2}/README.md RENAMED
@@ -105,6 +105,7 @@ study.save()
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  study.plot_samples_pca()
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  study.plot_samples_umap()
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  study.plot_samples_2d()
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+ study.plot_heatmap()
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  # To know more about the available methods...
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  dir(study)
{masster-0.6.0 → masster-0.6.2}/pyproject.toml RENAMED
@@ -1,10 +1,10 @@
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  [project]
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  name = "masster"
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- version = "0.6.0"
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+ version = "0.6.2"
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  description = "Mass spectrometry data analysis package"
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  authors = [
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- { name = "Zamboni Lab" }
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+ { name = "Zamboni Lab, ETH Zurich" }
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  ]
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  license = { file = "LICENSE" }
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  readme = "README.md"
{masster-0.6.0 → masster-0.6.2}/src/masster/_version.py RENAMED
@@ -1,7 +1,7 @@
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  from __future__ import annotations
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- __version__ = "0.5.26"
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+ __version__ = "0.6.2"
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  def get_version():