masster 0.5.7__py3-none-any.whl → 0.5.9__py3-none-any.whl

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Files changed (17) hide show
  1. masster/_version.py +1 -1
  2. masster/logger.py +58 -43
  3. masster/sample/h5.py +1 -1
  4. masster/sample/plot.py +4 -4
  5. masster/sample/processing.py +3 -3
  6. masster/sample/save.py +5 -5
  7. masster/study/h5.py +1 -1
  8. masster/study/helpers.py +150 -5
  9. masster/study/id.py +4 -4
  10. masster/study/merge.py +565 -162
  11. masster/study/processing.py +2 -2
  12. masster/study/study.py +2 -1
  13. {masster-0.5.7.dist-info → masster-0.5.9.dist-info}/METADATA +1 -1
  14. {masster-0.5.7.dist-info → masster-0.5.9.dist-info}/RECORD +17 -17
  15. {masster-0.5.7.dist-info → masster-0.5.9.dist-info}/WHEEL +0 -0
  16. {masster-0.5.7.dist-info → masster-0.5.9.dist-info}/entry_points.txt +0 -0
  17. {masster-0.5.7.dist-info → masster-0.5.9.dist-info}/licenses/LICENSE +0 -0
masster/study/processing.py CHANGED
@@ -290,7 +290,7 @@ def filter_consensus(
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  f"Filtered {after_quality - after_number_samples} entries based on number of samples. Remaining {after_number_samples} entries.",
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  )
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- self.logger.info(f"Filtering completed. {len(cons)} entries remaining.")
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+ self.logger.success(f"Filtering completed. {len(cons)} entries remaining.")
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  if inplace:
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  self.consensus_df = cons
@@ -1365,7 +1365,7 @@ def find_iso(self, rt_tol=0.1, mz_tol=0.01, uids=None):
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  # Count how many consensus features have isotope data
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  iso_count = sum(1 for data in consensus_iso_data.values() if data is not None and len(data) > 0)
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- self.logger.info(f"Optimized isotope detection completed. Found isotope patterns for {iso_count}/{len(self.consensus_df)} consensus features.")
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+ self.logger.success(f"Optimized isotope detection completed. Found isotope patterns for {iso_count}/{len(self.consensus_df)} consensus features.")
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  def reset_iso(self):
masster/study/study.py CHANGED
@@ -108,7 +108,7 @@ from masster.study.parameters import get_parameters_property
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  from masster.study.parameters import set_parameters_property
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  from masster.study.save import save, save_consensus, save_samples
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  from masster.study.export import export_mgf, export_mztab, export_xlsx, export_parquet
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- from masster.study.id import lib_load, identify, get_id, id_reset, lib_reset
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+ from masster.study.id import lib_load, identify, get_id, id_reset, lib_reset, _get_adducts
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  from masster.logger import MassterLogger
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  from masster.study.defaults.study_def import study_defaults
@@ -380,6 +380,7 @@ class Study:
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  get_orphans = get_orphans
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  get_sample_stats = get_sample_stats
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  get_consensus_stats = get_consensus_stats
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+ _get_adducts = _get_adducts
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  # === Data Selection and Filtering ===
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  samples_select = samples_select
{masster-0.5.7.dist-info → masster-0.5.9.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: masster
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- Version: 0.5.7
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+ Version: 0.5.9
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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
{masster-0.5.7.dist-info → masster-0.5.9.dist-info}/RECORD RENAMED
@@ -1,7 +1,7 @@
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  masster/__init__.py,sha256=ueZ224WPNRRjQEYTaQUol818nwQgJwB93HbEfmtPRmg,1041
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- masster/_version.py,sha256=ioQa4W_2pWdKSoU7hw7Pn6WMBm3nMuuLKfSR4f8171A,256
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+ masster/_version.py,sha256=bhol39keZ-JZvzEVotG6tOww8JjVuPt66rihFwTiraE,256
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  masster/chromatogram.py,sha256=iYpdv8C17zVnlWvOFgAn9ns2uFGiF-GgoYf5QVVAbHs,19319
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- masster/logger.py,sha256=tR65N23zfrNpcZNbZm2ot_Aual9XrGB1MWjLrovZkMs,16749
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+ masster/logger.py,sha256=XT2gUcUIct8LWzTp9n484g5MaB89toT76CGA41oBvfA,18375
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  masster/spectrum.py,sha256=TWIgDcl0lveG40cLVZTWGp8-FxMolu-P8EjZyRBtXL4,49850
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  masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil2_01_20250602151849.sample5,sha256=LdJMF8uLoDm9ixZNHBoOzBH6hX7NGY7vTvqa2Pzetb8,6539174
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  masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil3_01_20250602150634.sample5,sha256=hWUfslGoOTiQw59jENSBXP4sa6DdkbOi40FJ68ep61Q,6956773
@@ -20,17 +20,17 @@ masster/lib/__init__.py,sha256=TcePNx3SYZHz6763TL9Sg4gUNXaRWjlrOtyS6vsu-hg,178
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  masster/lib/lib.py,sha256=SSN06UtiM-hIdjS3eCiIHsJ_8S4YHRGOLGmdPIh-efo,27481
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  masster/sample/__init__.py,sha256=HL0m1ept0PMAYUCQtDDnkdOS12IFl6oLAq4TZQz83uY,170
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  masster/sample/adducts.py,sha256=nl5KEuat0hvktgar6Ca4PbY8JXt9SD05EeTn0HOKt64,32592
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- masster/sample/h5.py,sha256=tlTPGrT9AMUhduvY_YPDzk6dZF5dI-9NRc1xeiuze5c,115442
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+ masster/sample/h5.py,sha256=X5VBHBpgJ2FJc9mtCggJ1HSQ3ujRmb1Wnpr9sJ8bGVA,115445
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  masster/sample/helpers.py,sha256=27eZFFidr02-DlSi4-eF4bpSk_y-qU3eoFCAOshRO20,42138
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  masster/sample/lib.py,sha256=E-j9c3Wd8f9a-H8xj7CAOwlA8KcyXPoFyYm3c8r7LtI,33755
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  masster/sample/load.py,sha256=swjRBCoFGni9iPztHIKPVB5ru_xDMVryB_inPXdujTw,51819
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  masster/sample/parameters.py,sha256=Gg2KcuNbV_wZ_Wwv93QlM5J19ji0oSIvZLPV1NoBmq0,4456
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- masster/sample/plot.py,sha256=-rHqdi6q7jqjS8ENpTlxjwJBMZAwo-6OsNmE_d1JVQk,86617
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- masster/sample/processing.py,sha256=CjaLCElDKECeCvYWqzT5EH_-rPQ0Y4A30zKjZfqmS5s,55915
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+ masster/sample/plot.py,sha256=3_2SO88uTird4cSlrVAZofuIrxjQDIIAH2l0ESxddB8,86629
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+ masster/sample/processing.py,sha256=uqa5QeXJSo3b6bg3Xl62vkaDxz09NLAXJekBFrPDe_Q,55924
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  masster/sample/quant.py,sha256=tHNjvUFTdehKR31BXBZnVsBxMD9XJHgaltITOjr71uE,7562
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  masster/sample/sample.py,sha256=VhQik_ev1liRqGUtbZvV1NOjfFzgfZI1orfQT87gai4,20643
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  masster/sample/sample5_schema.json,sha256=H5e2T6rHIDzul2kp_yP-ILUUWUpW08wP2pEQjMR0nSk,3977
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- masster/sample/save.py,sha256=IwWfcsmWLWM-2ASdhHXWAiPyrZBv5JUynvciNPppDUs,38643
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+ masster/sample/save.py,sha256=pbiRoWEA2DnhDKmMJncjveNlBqizJLOVRm5cug4ZwyM,38658
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  masster/sample/sciex.py,sha256=vnbxsq_qnAQVuzcpziP1o3IC4kM5amGBcPmC2TAuDLw,46319
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  masster/sample/defaults/__init__.py,sha256=A09AOP44cxD_oYohyt7XFUho0zndRcrzVD4DUaGnKH4,447
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  masster/sample/defaults/find_adducts_def.py,sha256=Bu2KiBJRxD0SAnOPNMm_Nk-6fx6QYoRXjFNGzz-0_o0,13570
@@ -41,16 +41,16 @@ masster/sample/defaults/sample_def.py,sha256=keoXyMyrm_iLgbYqfIbqCpJ3XHBVlNwCNmb
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  masster/study/__init__.py,sha256=55axdFuqRX4aXtJ8ocnhcLB32fNtmmJpCi58moO0r4g,237
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  masster/study/analysis.py,sha256=L-wXBnGZCLB5UUDrjIdOiMG9zdej3Tw_SftcEmmTukM,84264
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  masster/study/export.py,sha256=joFK9jip2UM4lVAvhkdKVeUdNdM4D8uP2WE49IaVJgw,60172
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- masster/study/h5.py,sha256=84plxM7gYFdn_mNbcg8XxE_NRZmiIBqs_XhfHMiXshk,95364
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- masster/study/helpers.py,sha256=ZhvLetoEROHMSrMKZo8jXQMJhTochITgAG_vwjs_8Mg,183129
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- masster/study/id.py,sha256=r_vZQYNxqNXf_pjgk_CLkl1doLnLa956mTuVmlHN52o,80075
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+ masster/study/h5.py,sha256=hLp3sd95MRMBwMsLDbC1SXsYKeIlIdUG6-lChTJxuHw,95367
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+ masster/study/helpers.py,sha256=Y96XJsxo0IuuMh_u1asxJeSjjvR3PUp5RAXIACty8QM,190846
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+ masster/study/id.py,sha256=heKU309cUsNeFxbWYvqxVIAJLrR1H0YqMgLanLx9Do4,80091
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  masster/study/load.py,sha256=7d11294YYEGrSKox3cwvetv2vqcstYT1SnyAhHH5V_Q,107706
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- masster/study/merge.py,sha256=D9xNRlEaMPTPZQAZhiBBSzQ-27lD60fCDmKb0cYST-M,149764
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+ masster/study/merge.py,sha256=_-J29kYu65S9wE5bgxMdsmPcf_VupVxWmjGpqKWJDI0,169513
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  masster/study/parameters.py,sha256=bTvmcwX9INxzcrEAmTiFH8qeWVhwkvMTZjuP394pz5o,3279
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  masster/study/plot.py,sha256=LEIzoYiUyq1aswh-sw8S-ESvN2DaQKN5l22yLW8gZe8,107647
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- masster/study/processing.py,sha256=n5208v-JQGq3bBP-ncgl2__hHWSQQYHx2fl4Mm0THdI,58538
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+ masster/study/processing.py,sha256=8TB6olWoda5ytz7-kSqGXmniYVnMnUj7-J6Szcoc8Fg,58544
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  masster/study/save.py,sha256=47AP518epJJ9TjaGGyrLKsMsyjIk8_J4ka7bmsnRtFQ,9268
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- masster/study/study.py,sha256=TnZkTLB8Z5R-AVqoHfUNvmkTthfUI4OPmBo_LYR_e8g,38654
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+ masster/study/study.py,sha256=gudugPJk3LOtZh-YsszSRCBDrBG78cexoG0CSM86EPs,38701
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  masster/study/study5_schema.json,sha256=0IZxM9VVI0TUlx74BPzJDT44kySi6NZZ6iLR0j8bU_s,7736
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  masster/study/defaults/__init__.py,sha256=m3Z5KXGqsTdh7GjYzZoENERt39yRg0ceVRV1DeCt1P0,610
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  masster/study/defaults/align_def.py,sha256=Du0F592ej2einT8kOx8EUs610axSvur8_-6N19O-uJY,10209
@@ -67,8 +67,8 @@ masster/wizard/README.md,sha256=mL1A3YWJZOefpJ6D0-HqGLkVRmUlOpwyVFdvJBeeoZM,1414
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  masster/wizard/__init__.py,sha256=a2hcZnHASjfuw1lqZhZnvTR58rc33rRnoGAY_JfvGhI,683
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  masster/wizard/example.py,sha256=xEZFTH9UZ8HKOm6s3JL8Js0Uw5ChnISWBHSZCL32vsM,7983
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  masster/wizard/wizard.py,sha256=UobIGFZtp1s_9WJlpl6DQ2-pp7flPQ6dlYZJqYE92OM,38131
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- masster-0.5.7.dist-info/METADATA,sha256=DpCKFnXCQ5SXZnw95QXJM1yEpZETz882BwJp5scuvqc,45113
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- masster-0.5.7.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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- masster-0.5.7.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
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- masster-0.5.7.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
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- masster-0.5.7.dist-info/RECORD,,
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+ masster-0.5.9.dist-info/METADATA,sha256=atBSD9cWS2CByNIoDwdlY3c3oZa_7CRvQmObin496hU,45113
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+ masster-0.5.9.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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+ masster-0.5.9.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
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+ masster-0.5.9.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
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+ masster-0.5.9.dist-info/RECORD,,