masster 0.3.19__py3-none-any.whl → 0.3.20__py3-none-any.whl

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Files changed (24) hide show
  1. masster/__init__.py +2 -0
  2. masster/_version.py +1 -1
  3. masster/data/libs/README.md +17 -0
  4. masster/data/libs/ccm.py +533 -0
  5. masster/data/libs/central_carbon_README.md +17 -0
  6. masster/data/libs/central_carbon_metabolites.csv +120 -0
  7. masster/data/libs/urine.py +333 -0
  8. masster/data/libs/urine_metabolites.csv +51 -0
  9. masster/sample/lib.py +32 -25
  10. masster/sample/load.py +7 -1
  11. masster/sample/plot.py +111 -26
  12. masster/study/helpers.py +230 -6
  13. masster/study/plot.py +457 -182
  14. masster/study/study.py +4 -0
  15. {masster-0.3.19.dist-info → masster-0.3.20.dist-info}/METADATA +1 -1
  16. {masster-0.3.19.dist-info → masster-0.3.20.dist-info}/RECORD +24 -18
  17. /masster/data/{examples → wiff}/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML +0 -0
  18. /masster/data/{examples → wiff}/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  19. /masster/data/{examples → wiff}/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  20. /masster/data/{examples → wiff}/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  21. /masster/data/{examples → wiff}/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  22. {masster-0.3.19.dist-info → masster-0.3.20.dist-info}/WHEEL +0 -0
  23. {masster-0.3.19.dist-info → masster-0.3.20.dist-info}/entry_points.txt +0 -0
  24. {masster-0.3.19.dist-info → masster-0.3.20.dist-info}/licenses/LICENSE +0 -0
masster/study/study.py CHANGED
@@ -65,6 +65,8 @@ from masster.study.helpers import compress_ms2
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  from masster.study.helpers import compress_chrom
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  from masster.study.helpers import restore_features
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  from masster.study.helpers import restore_chrom
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+ from masster.study.helpers import restore_ms2
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+ from masster.study.helpers import decompress
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  from masster.study.helpers import fill_reset
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  from masster.study.helpers import get_chrom
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  from masster.study.helpers import get_sample
@@ -373,6 +375,8 @@ class Study:
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  compress_chrom = compress_chrom
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  restore_features = restore_features
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  restore_chrom = restore_chrom
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+ restore_ms2 = restore_ms2
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+ decompress = decompress
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  fill_reset = fill_reset
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  align_reset = align_reset
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  set_source = set_source
{masster-0.3.19.dist-info → masster-0.3.20.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: 0.3.19
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+ Version: 0.3.20
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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-0.3.19.dist-info → masster-0.3.20.dist-info}/RECORD RENAMED
@@ -1,20 +1,26 @@
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- masster/__init__.py,sha256=G7hbKO8F_o1wFwQlvO25M8JYGka_YSAVU2_O__2rjlI,697
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- masster/_version.py,sha256=ecq759nZdue8MANCQ4Z6AN_HXLQBHypeqUdvMWoWj_E,257
1
+ masster/__init__.py,sha256=8U4cIteNlYyHDrxWSbB_MsDKCX9tds07SJG8-vh8Oa8,738
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+ masster/_version.py,sha256=vFHeK1lVnRkJ-mBdglb7C3euLIdzNe-vq8ZrZCuimp0,257
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  masster/chromatogram.py,sha256=NgPr1uLGJHjRu6PWZZGOrS3pCl7sye1yQCJjlRi9ZSY,19305
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  masster/logger.py,sha256=W50V_uh8RSYwGxDrDFhOuj5jpu2tKJyt_16lMw9kQwA,14755
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  masster/spectrum.py,sha256=7wKQes97sI-O2lxrkQnYuoroXFyAWgwSzS4TnjUX8RY,47710
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- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML,sha256=3RS_crLN-aoPSacMYaQ45sxszmp_EcQElrg8tiuAQyA,39741920
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- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data,sha256=01vC6m__Qqm2rLvlTMZoeKIKowFvovBTUnrNl8Uav3E,24576
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- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff,sha256=go5N9gAM1rn4PZAVaoCmdteY9f7YGEM9gyPdSmkQ8PE,1447936
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- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan,sha256=ahi1Y3UhAj9Bj4Q2MlbgPekNdkJvMOoMXVOoR6CeIxc,13881220
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- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2,sha256=TFB0HW4Agkig6yht7FtgjUdbXax8jjKaHpSZSvuU5vs,3252224
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+ masster/data/libs/README.md,sha256=bjODMSbzAcdKLUFB4tfC3a-yOo-oWwqBfONMMNDYES4,987
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+ masster/data/libs/ccm.py,sha256=fwkj4gDmsitv_wzcmgk7IcQEBRsbE9E7Nq1nf3VX8P4,18129
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+ masster/data/libs/central_carbon_README.md,sha256=kse10ijMWdyGv02tK90zQhWzdN6hoXfEjzdezRptt2I,919
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+ masster/data/libs/central_carbon_metabolites.csv,sha256=heiYADAi6OScPGSp9aX7XhNGOFup6Z97y3phhsPXrzo,10646
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+ masster/data/libs/urine.py,sha256=HPas5ABPciexFIEM6rV3ok6Lw_eKlqeUTCFA0mebOWk,12873
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+ masster/data/libs/urine_metabolites.csv,sha256=gdzxTbOxbZTjKlHQDv7aBDgMBJQ9b25TMao9OSgAhKk,1870
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+ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML,sha256=3RS_crLN-aoPSacMYaQ45sxszmp_EcQElrg8tiuAQyA,39741920
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+ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data,sha256=01vC6m__Qqm2rLvlTMZoeKIKowFvovBTUnrNl8Uav3E,24576
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+ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff,sha256=go5N9gAM1rn4PZAVaoCmdteY9f7YGEM9gyPdSmkQ8PE,1447936
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+ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan,sha256=ahi1Y3UhAj9Bj4Q2MlbgPekNdkJvMOoMXVOoR6CeIxc,13881220
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+ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2,sha256=TFB0HW4Agkig6yht7FtgjUdbXax8jjKaHpSZSvuU5vs,3252224
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  masster/sample/__init__.py,sha256=HL0m1ept0PMAYUCQtDDnkdOS12IFl6oLAq4TZQz83uY,170
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  masster/sample/h5.py,sha256=ynyHx1SN3F0OYgjhazFfjNseLu48MLV9r-aFIFdfqJE,98038
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  masster/sample/helpers.py,sha256=cCla29eTjAhcU5BPQJNr8KZWPD1IKjJj20tx5IrCaWM,36488
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- masster/sample/lib.py,sha256=l5YdU9TxEWJI0kJxXxrRCxgDDwbzO5zBf1_Qi_HY87w,33556
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- masster/sample/load.py,sha256=J51EzuWc1i4fc2AOXb7vWDHm6D7fvolMJjBG75Py84M,50010
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+ masster/sample/lib.py,sha256=abBEnHjItVCp_20qNT9xGdqBrKX4LL_4z4P6mNQuGRQ,33757
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+ masster/sample/load.py,sha256=IJTIfg_-UAhBSYRRm2FnZDQv4yqoZCJ3ZQYA0W__iMg,50370
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  masster/sample/parameters.py,sha256=Gg2KcuNbV_wZ_Wwv93QlM5J19ji0oSIvZLPV1NoBmq0,4456
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- masster/sample/plot.py,sha256=QX-i8XL2LcSKv3IsdeVs8ea_Zhg2hp_-IZWt64h3S5o,78435
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+ masster/sample/plot.py,sha256=ynF4xNs2QPIYGButT-HkrofbYZPeLtyBXo15AOJKH7M,82783
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  masster/sample/processing.py,sha256=-H93MEUysA-B9PB4nU31WFjtaU_flqbu2gY35ce4vVs,57827
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  masster/sample/quant.py,sha256=tHNjvUFTdehKR31BXBZnVsBxMD9XJHgaltITOjr71uE,7562
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  masster/sample/sample.py,sha256=2Hq3mUZHAN8AVw_-1m5v7Jg1-yqF5Pv7AWWBlhEDSXo,17096
@@ -30,14 +36,14 @@ masster/sample/defaults/sample_def.py,sha256=keoXyMyrm_iLgbYqfIbqCpJ3XHBVlNwCNmb
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  masster/study/__init__.py,sha256=Zspv6U8jFqjkHGYdNdDy1rfUnCSolCzUdgSSg98PRgE,166
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  masster/study/export.py,sha256=VywMv0g8Qy_SiWS9V1pw7Q6uYfHGORQ_W9U-iLUciVo,30112
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  masster/study/h5.py,sha256=I_yIKWW6zqI_xAq6sJ4uPs3EBWYMTMqiSTdy6VmN04o,72153
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- masster/study/helpers.py,sha256=KVB5H922qXHAYxklyFhixO0_oc5nZpWqOgjdUeWgBJA,134352
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+ masster/study/helpers.py,sha256=9WuzoNWaTSetkvfFY2y2mK4h8u2L_seAKZfGtBrgFQw,144856
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  masster/study/helpers_optimized.py,sha256=5qf6tiLPgsOSna9XVtTrx2B0GJ1wI8ZTrSv8n8MtxNg,13927
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  masster/study/load.py,sha256=BhH_dRugsieFvFTZq3jC3W8VHAh2JoGj_swQDnD3gUU,65091
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  masster/study/parameters.py,sha256=0elaF7YspTsB7qyajWAbRNL2VfKlGz5GJLifmO8IGkk,3276
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- masster/study/plot.py,sha256=OK9pZan5802RF-1jswuUNbpv3iAN7e69LiWbqso-eK4,81536
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+ masster/study/plot.py,sha256=Lx9BQz3rEZ6qqLQvUX_YsNA4eX4vIWzFW8hxwJRkGMU,94430
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  masster/study/processing.py,sha256=Da__6itJBbW4EwhCMBju4jytxgTLsGS8yWDt8S6V-DU,53379
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  masster/study/save.py,sha256=YjFEiuiB4OFLVvW_AX4-kgnsbjCWrYZeqF85VNEtbdw,6560
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- masster/study/study.py,sha256=kGVjMin_juvbFY2mB_QzMs57KsK1jLc7RF0s2nWGXcc,31643
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+ masster/study/study.py,sha256=3ox8wIFlee_R0wUwV7Jmq3Y49pqpyGBM_XwW5rACM8k,31796
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  masster/study/study5_schema.json,sha256=Fwt6U6r1J1BQxwR8ArFv1yN_2Cq1tt3tadS2sQCzjhg,5379
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  masster/study/defaults/__init__.py,sha256=m3Z5KXGqsTdh7GjYzZoENERt39yRg0ceVRV1DeCt1P0,610
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  masster/study/defaults/align_def.py,sha256=K_6xh7B1vf96maYIBTDZGjyA2zBHEgIP5ASzD9--n2Y,20241
@@ -50,8 +56,8 @@ masster/study/defaults/integrate_chrom_def.py,sha256=0MNIWGTjty-Zu-NTQsIweuj3UVq
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  masster/study/defaults/integrate_def.py,sha256=Vf4SAzdBfnsSZ3IRaF0qZvWu3gMDPHdgPfMYoPKeWv8,7246
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  masster/study/defaults/merge_def.py,sha256=EBsKE3hsAkTEzN9dpdRD5W3_suTKy_WZ_96rwS0uBuE,8572
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  masster/study/defaults/study_def.py,sha256=v2V5i5y288gydhMOM78m8u_GaWC2XdjLM5nJP6e17sI,10476
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- masster-0.3.19.dist-info/METADATA,sha256=4ihK7i4E5_zh-V_jHr5r3o9U9vM5A2uR-P0rKc-npKQ,44320
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- masster-0.3.19.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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- masster-0.3.19.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
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- masster-0.3.19.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
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- masster-0.3.19.dist-info/RECORD,,
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+ masster-0.3.20.dist-info/METADATA,sha256=Kmil3q9BHG7ikwUWKwwEDXuP_3Tw59x3VxpJtkjz5ew,44320
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+ masster-0.3.20.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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+ masster-0.3.20.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
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+ masster-0.3.20.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
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+ masster-0.3.20.dist-info/RECORD,,