masster 0.5.6__tar.gz → 0.5.7__tar.gz

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  1. {masster-0.5.6 → masster-0.5.7}/PKG-INFO +1 -1
  2. {masster-0.5.6 → masster-0.5.7}/pyproject.toml +1 -1
  3. {masster-0.5.6 → masster-0.5.7}/src/masster/_version.py +1 -1
  4. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/plot.py +4 -6
  5. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/merge_def.py +1 -1
  6. {masster-0.5.6 → masster-0.5.7}/uv.lock +1 -1
  7. {masster-0.5.6 → masster-0.5.7}/.github/workflows/publish.yml +0 -0
  8. {masster-0.5.6 → masster-0.5.7}/.github/workflows/security.yml +0 -0
  9. {masster-0.5.6 → masster-0.5.7}/.github/workflows/test.yml +0 -0
  10. {masster-0.5.6 → masster-0.5.7}/.gitignore +0 -0
  11. {masster-0.5.6 → masster-0.5.7}/.pre-commit-config.yaml +0 -0
  12. {masster-0.5.6 → masster-0.5.7}/LICENSE +0 -0
  13. {masster-0.5.6 → masster-0.5.7}/Makefile +0 -0
  14. {masster-0.5.6 → masster-0.5.7}/README.md +0 -0
  15. {masster-0.5.6 → masster-0.5.7}/TESTING.md +0 -0
  16. {masster-0.5.6 → masster-0.5.7}/demo/example_batch_process.py +0 -0
  17. {masster-0.5.6 → masster-0.5.7}/demo/example_sample_process.py +0 -0
  18. {masster-0.5.6 → masster-0.5.7}/src/masster/__init__.py +0 -0
  19. {masster-0.5.6 → masster-0.5.7}/src/masster/chromatogram.py +0 -0
  20. {masster-0.5.6 → masster-0.5.7}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil2_01_20250602151849.sample5 +0 -0
  21. {masster-0.5.6 → masster-0.5.7}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil3_01_20250602150634.sample5 +0 -0
  22. {masster-0.5.6 → masster-0.5.7}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C008_v6_r38_01.sample5 +0 -0
  23. {masster-0.5.6 → masster-0.5.7}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C008_v7_r37_01.sample5 +0 -0
  24. {masster-0.5.6 → masster-0.5.7}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C017_v5_r99_01.sample5 +0 -0
  25. {masster-0.5.6 → masster-0.5.7}/src/masster/data/libs/aa.csv +0 -0
  26. {masster-0.5.6 → masster-0.5.7}/src/masster/data/libs/ccm.csv +0 -0
  27. {masster-0.5.6 → masster-0.5.7}/src/masster/data/libs/hilic.csv +0 -0
  28. {masster-0.5.6 → masster-0.5.7}/src/masster/data/libs/urine.csv +0 -0
  29. {masster-0.5.6 → masster-0.5.7}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  30. {masster-0.5.6 → masster-0.5.7}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  31. {masster-0.5.6 → masster-0.5.7}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  32. {masster-0.5.6 → masster-0.5.7}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  33. {masster-0.5.6 → masster-0.5.7}/src/masster/lib/__init__.py +0 -0
  34. {masster-0.5.6 → masster-0.5.7}/src/masster/lib/lib.py +0 -0
  35. {masster-0.5.6 → masster-0.5.7}/src/masster/logger.py +0 -0
  36. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/__init__.py +0 -0
  37. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/adducts.py +0 -0
  38. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/__init__.py +0 -0
  39. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/find_adducts_def.py +0 -0
  40. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/find_features_def.py +0 -0
  41. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/find_ms2_def.py +0 -0
  42. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
  43. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/defaults/sample_def.py +0 -0
  44. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/h5.py +0 -0
  45. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/helpers.py +0 -0
  46. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/lib.py +0 -0
  47. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/load.py +0 -0
  48. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/parameters.py +0 -0
  49. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/processing.py +0 -0
  50. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/quant.py +0 -0
  51. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/sample.py +0 -0
  52. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/sample5_schema.json +0 -0
  53. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/save.py +0 -0
  54. {masster-0.5.6 → masster-0.5.7}/src/masster/sample/sciex.py +0 -0
  55. {masster-0.5.6 → masster-0.5.7}/src/masster/spectrum.py +0 -0
  56. {masster-0.5.6 → masster-0.5.7}/src/masster/study/__init__.py +0 -0
  57. {masster-0.5.6 → masster-0.5.7}/src/masster/study/analysis.py +0 -0
  58. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/__init__.py +0 -0
  59. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/align_def.py +0 -0
  60. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/export_def.py +0 -0
  61. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/fill_def.py +0 -0
  62. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/find_consensus_def.py +0 -0
  63. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/find_ms2_def.py +0 -0
  64. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/identify_def.py +0 -0
  65. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
  66. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/integrate_def.py +0 -0
  67. {masster-0.5.6 → masster-0.5.7}/src/masster/study/defaults/study_def.py +0 -0
  68. {masster-0.5.6 → masster-0.5.7}/src/masster/study/export.py +0 -0
  69. {masster-0.5.6 → masster-0.5.7}/src/masster/study/h5.py +0 -0
  70. {masster-0.5.6 → masster-0.5.7}/src/masster/study/helpers.py +0 -0
  71. {masster-0.5.6 → masster-0.5.7}/src/masster/study/id.py +0 -0
  72. {masster-0.5.6 → masster-0.5.7}/src/masster/study/load.py +0 -0
  73. {masster-0.5.6 → masster-0.5.7}/src/masster/study/merge.py +0 -0
  74. {masster-0.5.6 → masster-0.5.7}/src/masster/study/parameters.py +0 -0
  75. {masster-0.5.6 → masster-0.5.7}/src/masster/study/plot.py +0 -0
  76. {masster-0.5.6 → masster-0.5.7}/src/masster/study/processing.py +0 -0
  77. {masster-0.5.6 → masster-0.5.7}/src/masster/study/save.py +0 -0
  78. {masster-0.5.6 → masster-0.5.7}/src/masster/study/study.py +0 -0
  79. {masster-0.5.6 → masster-0.5.7}/src/masster/study/study5_schema.json +0 -0
  80. {masster-0.5.6 → masster-0.5.7}/src/masster/wizard/README.md +0 -0
  81. {masster-0.5.6 → masster-0.5.7}/src/masster/wizard/__init__.py +0 -0
  82. {masster-0.5.6 → masster-0.5.7}/src/masster/wizard/example.py +0 -0
  83. {masster-0.5.6 → masster-0.5.7}/src/masster/wizard/wizard.py +0 -0
  84. {masster-0.5.6 → masster-0.5.7}/tests/conftest.py +0 -0
  85. {masster-0.5.6 → masster-0.5.7}/tests/test_chromatogram.py +0 -0
  86. {masster-0.5.6 → masster-0.5.7}/tests/test_defaults.py +0 -0
  87. {masster-0.5.6 → masster-0.5.7}/tests/test_imports.py +0 -0
  88. {masster-0.5.6 → masster-0.5.7}/tests/test_integration.py +0 -0
  89. {masster-0.5.6 → masster-0.5.7}/tests/test_logger.py +0 -0
  90. {masster-0.5.6 → masster-0.5.7}/tests/test_parameters.py +0 -0
  91. {masster-0.5.6 → masster-0.5.7}/tests/test_sample.py +0 -0
  92. {masster-0.5.6 → masster-0.5.7}/tests/test_spectrum.py +0 -0
  93. {masster-0.5.6 → masster-0.5.7}/tests/test_study.py +0 -0
  94. {masster-0.5.6 → masster-0.5.7}/tests/test_version.py +0 -0
  95. {masster-0.5.6 → masster-0.5.7}/tox.ini +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: masster
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- Version: 0.5.6
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+ Version: 0.5.7
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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
@@ -1,7 +1,7 @@
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  [project]
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  name = "masster"
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- version = "0.5.6"
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+ version = "0.5.7"
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  description = "Mass spectrometry data analysis package"
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  authors = [
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  { name = "Zamboni Lab" }
@@ -1,7 +1,7 @@
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  from __future__ import annotations
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- __version__ = "0.5.6"
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+ __version__ = "0.5.7"
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  def get_version():
@@ -86,8 +86,6 @@ def _process_cmap(cmap, fallback="viridis", logger=None):
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  cmap = "viridis"
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  elif cmap == "grey":
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  cmap = "Greys256"
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- elif cmap == "iridescent":
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- cmap = "iridescent_r"
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  # If cmap package is not available, fall back to process_cmap
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  if Colormap is None:
@@ -455,15 +453,15 @@ def plot_2d(
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  show_ms2=False,
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  show_in_browser=False,
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  title=None,
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- cmap=None,
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+ cmap='iridescent',
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  marker="circle",
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- markersize=10,
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+ markersize=5,
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  size="static",
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  raster_dynamic=True,
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  raster_max_px=8,
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  raster_threshold=0.8,
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  height=600,
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- width=800,
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+ width=750,
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  mz_range=None,
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  rt_range=None
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  ):
@@ -529,7 +527,7 @@ def plot_2d(
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  return
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  # Process colormap using the cmap package
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- cmap_palette = _process_cmap(cmap, fallback="iridescent_r", logger=self.logger)
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+ cmap_palette = _process_cmap(cmap, fallback="iridescent", logger=self.logger)
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531
 
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  # get columns rt, mz, inty from self.ms1_df, It's polars DataFrame
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  spectradf = self.ms1_df.select(["rt", "mz", "inty"])
@@ -25,7 +25,7 @@ class merge_defaults:
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  link_ms2 (bool): Whether to link MS2 spectra to consensus features. Default is True.
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  """
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- method: str = "kd"
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+ method: str = "qt"
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  min_samples: int = 2
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  rt_tol: float = 5.0
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  mz_tol: float = 0.05
@@ -1393,7 +1393,7 @@ wheels = [
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  [[package]]
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  name = "masster"
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- version = "0.5.6"
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+ version = "0.5.7"
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  source = { editable = "." }
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  dependencies = [
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  { name = "alpharaw" },
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