masster 0.5.17__py3-none-any.whl → 0.5.18__py3-none-any.whl

masster/study/study.py

@@ -905,6 +905,7 @@ class Study:
             f"Study folder:           {self.folder}\n"
             f"Last save:              {self.filename}\n"
             f"Samples:                {samples_df_len}\n"
+            f"Polarity:               {self.polarity}\n"
             f"Features:               {unfilled_features_count}\n"
             f"- in consensus:         {ratio_in_consensus_to_total:.0f}%\n"
             f"- not in consensus:     {ratio_not_in_consensus_to_total:.0f}%\n"

{masster-0.5.17.dist-info → masster-0.5.18.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: masster
-Version: 0.5.17
+Version: 0.5.18
 Summary: Mass spectrometry data analysis package
 Project-URL: homepage, https://github.com/zamboni-lab/masster
 Project-URL: repository, https://github.com/zamboni-lab/masster
@@ -747,10 +747,11 @@ pip install masster
 
 ```python
 import masster
-masster.wizard.execute(
+wiz = masster.wizard.create_scripts(
     source=r'..\..\folder_with_raw_data',
     folder=r'..\..folder_to_store_results'
     )
+wiz.run()
 ```
 
 This will run a wizard that should perform all key steps and save the results to the `folder`.

{masster-0.5.17.dist-info → masster-0.5.18.dist-info}/RECORD

@@ -1,5 +1,5 @@
 masster/__init__.py,sha256=B7zftzdElF2Wb5B7KvkD6TONnMIY-Jxeen3s49dgmzs,1029
-masster/_version.py,sha256=KD2SEuC2rjv2RLni1gIwB7iF2uzGndbyPLJm7M_E38U,257
+masster/_version.py,sha256=LChZF0OUsgujPZXZ-tTpQID-ZbHbpSgB1NZxEHjVBHc,257
 masster/chromatogram.py,sha256=iYpdv8C17zVnlWvOFgAn9ns2uFGiF-GgoYf5QVVAbHs,19319
 masster/logger.py,sha256=XT2gUcUIct8LWzTp9n484g5MaB89toT76CGA41oBvfA,18375
 masster/spectrum.py,sha256=TWIgDcl0lveG40cLVZTWGp8-FxMolu-P8EjZyRBtXL4,49850
@@ -19,39 +19,40 @@ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecR
 masster/lib/__init__.py,sha256=TcePNx3SYZHz6763TL9Sg4gUNXaRWjlrOtyS6vsu-hg,178
 masster/lib/lib.py,sha256=cDV4bL2Ax0WWZReiTYze0W6XVMTJRC9DMlVYd6piRIs,38934
 masster/sample/__init__.py,sha256=HL0m1ept0PMAYUCQtDDnkdOS12IFl6oLAq4TZQz83uY,170
-masster/sample/adducts.py,sha256=HDqb8QMpImRr3lZePE4GO1glA1C9ApyDVTDbr839XMk,32965
-masster/sample/h5.py,sha256=X5VBHBpgJ2FJc9mtCggJ1HSQ3ujRmb1Wnpr9sJ8bGVA,115445
+masster/sample/adducts.py,sha256=SU6S3pyyLQUSg6yPcdj3p4MfwNDsp0_FYwYYb7F4li0,33798
+masster/sample/h5.py,sha256=3cBY9Ta1jC-MQ-To-CPRkGIIQGkksFT8MsHIM3BTtEY,117791
 masster/sample/helpers.py,sha256=Mt9LX-Dy1Xro1a_Sy6nxQzCkP_-q7nK4xVnNm44v7UA,43872
-masster/sample/lib.py,sha256=E-j9c3Wd8f9a-H8xj7CAOwlA8KcyXPoFyYm3c8r7LtI,33755
-masster/sample/load.py,sha256=swjRBCoFGni9iPztHIKPVB5ru_xDMVryB_inPXdujTw,51819
+masster/sample/lib.py,sha256=jrzqvglaCGzZQSSRXEQXYSJ_UTaFMdpSQbWiZd1DJyc,33976
+masster/sample/load.py,sha256=GP8oYICEqHdog9_sFPiBJVwdy7foavVF7g1ffZ729-s,48711
 masster/sample/parameters.py,sha256=Gg2KcuNbV_wZ_Wwv93QlM5J19ji0oSIvZLPV1NoBmq0,4456
 masster/sample/plot.py,sha256=5qn2Cpl363f3hW1ZeI4BZV9_36VLx39PKQMrebJhfp4,104864
-masster/sample/processing.py,sha256=mKm73pscK7L1o0DS3X957LeOBoYiCe9b2-P8mCPX8gk,56333
+masster/sample/processing.py,sha256=2E1MdPoKaBXGhie2ZOZ4EDgH6ZE3tO10VExMhqfjQsQ,56337
 masster/sample/quant.py,sha256=tHNjvUFTdehKR31BXBZnVsBxMD9XJHgaltITOjr71uE,7562
-masster/sample/sample.py,sha256=pw4fIE5gecdupZOOWFUiRCs0x-3qa3Nv7V_UdJ-CAsc,22202
+masster/sample/sample.py,sha256=Khhjcd1okZBxVM6bOvGV4ZU-FUagiqgZjkWm3afhECs,22365
 masster/sample/sample5_schema.json,sha256=H5e2T6rHIDzul2kp_yP-ILUUWUpW08wP2pEQjMR0nSk,3977
 masster/sample/save.py,sha256=pbiRoWEA2DnhDKmMJncjveNlBqizJLOVRm5cug4ZwyM,38658
-masster/sample/sciex.py,sha256=vnbxsq_qnAQVuzcpziP1o3IC4kM5amGBcPmC2TAuDLw,46319
+masster/sample/sciex.py,sha256=mk95h2KIdMwNvKjoAaWfB7osYF6zSdyfSDNh_ft9zTE,21781
+masster/sample/thermo.py,sha256=5Bl4qqGG3CN6tbbY4huXfnRSlK4djaD8azeS854ZeM4,28133
 masster/sample/defaults/__init__.py,sha256=A09AOP44cxD_oYohyt7XFUho0zndRcrzVD4DUaGnKH4,447
 masster/sample/defaults/find_adducts_def.py,sha256=Bu2KiBJRxD0SAnOPNMm_Nk-6fx6QYoRXjFNGzz-0_o0,13570
 masster/sample/defaults/find_features_def.py,sha256=Bcd39uav1BniwKgrsB-I1maF3ljf4Wb1f5yv0pDYfts,17745
 masster/sample/defaults/find_ms2_def.py,sha256=KTELMAnioGLYbhzAwOgK14TZqboPEvzeBN0HC-v0Z5A,9872
 masster/sample/defaults/get_spectrum_def.py,sha256=o62p31PhGd-LiIkTOzKQhwPtnO2AtQDHcPu-O-YoQPs,11460
-masster/sample/defaults/sample_def.py,sha256=keoXyMyrm_iLgbYqfIbqCpJ3XHBVlNwCNmb5iMQL0iY,14579
+masster/sample/defaults/sample_def.py,sha256=XJPtQPqgkpaLEng3eqBPznCwcKVPJSw3FC6wNVcEu5E,15460
 masster/study/__init__.py,sha256=55axdFuqRX4aXtJ8ocnhcLB32fNtmmJpCi58moO0r4g,237
 masster/study/analysis.py,sha256=L-wXBnGZCLB5UUDrjIdOiMG9zdej3Tw_SftcEmmTukM,84264
 masster/study/export.py,sha256=c1HJdLAM6Ply0n8f0DjMk4mXd9lOYePr60UJTBksUho,60092
 masster/study/h5.py,sha256=bznE9kKEfLNo0QtbyC6a6snfnR3Zjkx5BcjBNbRVlJ8,99579
 masster/study/helpers.py,sha256=FdvQV-CgQyBhXMqk6_92aKSBsZhJBK4joLxEdKzmuhw,192011
-masster/study/id.py,sha256=_ZqPz3dWZ-o7mIE0eW1cWQV8xdcdgJUaf1TT7paG5SU,90716
+masster/study/id.py,sha256=GtOyu5vuK8utydpZn-zNjTbHZsEabqAUGrCwVbauzWA,90844
 masster/study/importers.py,sha256=1Oco0yMid_siMMZdK7rQlhS20XikgjBBNAirbTHx5O8,13958
-masster/study/load.py,sha256=BMjoUDkXNI6iU2tRE2eBRzxMrvW0gRyLepqYOWaMPXU,101192
+masster/study/load.py,sha256=EsKpxUuduu-w1TREfHTYxRdEncWTd15h2IwoB3D_nuc,72070
 masster/study/merge.py,sha256=SwrsbcoI6hIuepvTJEFNoXncwMx1XXr6FVOvkSyfIbs,169239
 masster/study/parameters.py,sha256=bTvmcwX9INxzcrEAmTiFH8qeWVhwkvMTZjuP394pz5o,3279
 masster/study/plot.py,sha256=RXuTlL-jpdLn9aRrxNvTrRU8Zr4504pia-BEWYzpSfY,114048
 masster/study/processing.py,sha256=5b8K4tP-Xu1-mhdf0om-m-g65Z9Uz3Dp4UBhuMLh0yU,58627
 masster/study/save.py,sha256=47AP518epJJ9TjaGGyrLKsMsyjIk8_J4ka7bmsnRtFQ,9268
-masster/study/study.py,sha256=pu6JQKvrT2AVKhAixlt3vfaKzJqbJfBY3xPt6-MWdyU,38833
+masster/study/study.py,sha256=Qt1ltc20LRjPvfuwHLX3AGszNAzZG3t7oM0GbS6Ixbc,38891
 masster/study/study5_schema.json,sha256=uLA9TIb5loki87_BEdwSNyPYahwOanacYisXdIK0_Z0,8044
 masster/study/defaults/__init__.py,sha256=m3Z5KXGqsTdh7GjYzZoENERt39yRg0ceVRV1DeCt1P0,610
 masster/study/defaults/align_def.py,sha256=Du0F592ej2einT8kOx8EUs610axSvur8_-6N19O-uJY,10209
@@ -68,8 +69,8 @@ masster/wizard/README.md,sha256=mL1A3YWJZOefpJ6D0-HqGLkVRmUlOpwyVFdvJBeeoZM,1414
 masster/wizard/__init__.py,sha256=L9G_datyGSFJjrBVklEVpZVLGXzUhDiWobtiygBH8vQ,669
 masster/wizard/example.py,sha256=xEZFTH9UZ8HKOm6s3JL8Js0Uw5ChnISWBHSZCL32vsM,7983
 masster/wizard/wizard.py,sha256=_co4abB8lNNryfqwS3AZtw6TGxw6NLowRjLXTUzJA0o,62994
-masster-0.5.17.dist-info/METADATA,sha256=SnOZZo7h6E7XV_AIjomMkMYAwbibu23vZYyhQnRMEOM,45130
-masster-0.5.17.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
-masster-0.5.17.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
-masster-0.5.17.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
-masster-0.5.17.dist-info/RECORD,,
+masster-0.5.18.dist-info/METADATA,sha256=CIX2SNRG_TsBxRKSatiF-oS6SqdeniyGRj8pqUN1exM,45153
+masster-0.5.18.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
+masster-0.5.18.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
+masster-0.5.18.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
+masster-0.5.18.dist-info/RECORD,,