masster 0.4.5__py3-none-any.whl → 0.4.6__py3-none-any.whl

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masster/__init__.py CHANGED
@@ -1,5 +1,5 @@
1
1
  """
2
- master - Mass Spectrometry Analysis Assistant
2
+ masster - Mass Spectrometry Analysis Assistant
3
3
 
4
4
  A comprehensive Python package for processing and analyzing untargeted metabolomics data,
5
5
  supporting both DDA (Data-Dependent Acquisition) and DIA (Data-Independent Acquisition)
@@ -8,14 +8,14 @@ mass spectrometry workflows.
8
8
 
9
9
  from __future__ import annotations
10
10
 
11
- from master._version import __version__
11
+ from masster._version import __version__
12
12
 
13
- # from master._version import get_version
14
- from master.chromatogram import Chromatogram
15
- from master.lib import Lib
16
- from master.sample.sample import Sample
17
- from master.spectrum import Spectrum
18
- from master.study.study import Study
13
+ # from masster._version import get_version
14
+ from masster.chromatogram import Chromatogram
15
+ from masster.lib import Lib
16
+ from masster.sample.sample import Sample
17
+ from masster.spectrum import Spectrum
18
+ from masster.study.study import Study
19
19
 
20
20
 
21
21
  __all__ = [
masster/chromatogram.py CHANGED
@@ -88,10 +88,10 @@ class Chromatogram:
88
88
 
89
89
  Example Usage:
90
90
  >>> import numpy as np
91
- >>> from master import chrom
91
+ >>> from masster import Chromatogram
92
92
  >>> rt = np.linspace(0, 300, 1000)
93
93
  >>> intensity = np.random.normal(1000, 100, 1000)
94
- >>> chromatogram = chrom(rt=rt, inty=intensity, label="EIC m/z 150")
94
+ >>> chromatogram = Chromatogram(rt=rt, inty=intensity, label="EIC m/z 150")
95
95
  >>> chromatogram.find_peaks()
96
96
  >>> chromatogram.calculate_area()
97
97
 
masster/logger.py CHANGED
@@ -1,6 +1,6 @@
1
1
  # masster/logger.py
2
2
  """
3
- Simple logger system for master Study and Sample instances.
3
+ Simple logger system for masster Study and Sample instances.
4
4
  Uses basic Python logging timestamp = dt.strftime('%Y-%m-%d %H:%M:%S.%f')[:-3]
5
5
 
6
6
  # Loguru-style colors for different log levels
@@ -59,7 +59,7 @@ class MasterLogger:
59
59
  self.sink = sink
60
60
 
61
61
  # Create a unique logger name for this instance
62
- self.logger_name = f"master.{self.instance_type}.{self.instance_id}"
62
+ self.logger_name = f"masster.{self.instance_type}.{self.instance_id}"
63
63
 
64
64
  # Get a Python logger instance
65
65
  self.logger_instance = logging.getLogger(self.logger_name)
@@ -73,7 +73,7 @@ class MasterLogger:
73
73
  # Create a stream handler
74
74
  self.handler = logging.StreamHandler(self.sink)
75
75
 
76
- # Create formatter that matches the original master style
76
+ # Create formatter that matches the original masster style
77
77
  class masterFormatter(logging.Formatter):
78
78
  def __init__(self, label):
79
79
  super().__init__()
@@ -1,5 +1,5 @@
1
1
  """
2
- Sample module for master.
2
+ Sample module for masster.
3
3
 
4
4
  This module provides the Sample class for handling mass spectrometry data.
5
5
  """
masster/sample/adducts.py CHANGED
@@ -18,7 +18,7 @@ from typing import List, Dict
18
18
  from itertools import combinations
19
19
 
20
20
  # Import defaults class for external use
21
- from master.sample.defaults.find_adducts_def import find_adducts_defaults
21
+ from masster.sample.defaults.find_adducts_def import find_adducts_defaults
22
22
 
23
23
 
24
24
  def _get_adducts(self, adducts_list: list = None, **kwargs):
masster/sample/h5.py CHANGED
@@ -7,8 +7,8 @@ import polars as pl
7
7
 
8
8
  from typing import Any, Dict, List, Optional, Tuple
9
9
 
10
- from master.chromatogram import Chromatogram
11
- from master.spectrum import Spectrum
10
+ from masster.chromatogram import Chromatogram
11
+ from masster.spectrum import Spectrum
12
12
 
13
13
 
14
14
  def _save_sample5(
@@ -356,7 +356,7 @@ def _load_sample5(self, filename: str, map: bool = False):
356
356
  loaded_data = load_parameters_from_metadata(metadata_group)
357
357
 
358
358
  # Always create a fresh sample_defaults object
359
- from master.sample.defaults.sample_def import sample_defaults
359
+ from masster.sample.defaults.sample_def import sample_defaults
360
360
 
361
361
  self.parameters = sample_defaults()
362
362
 
@@ -1096,7 +1096,7 @@ def _load_sample5_study(self, filename: str, map: bool = False):
1096
1096
  loaded_data = load_parameters_from_metadata(metadata_group)
1097
1097
 
1098
1098
  # Always create a fresh sample_defaults object
1099
- from master.sample.defaults.sample_def import sample_defaults
1099
+ from masster.sample.defaults.sample_def import sample_defaults
1100
1100
 
1101
1101
  self.parameters = sample_defaults()
1102
1102
 
masster/sample/lib.py CHANGED
@@ -34,7 +34,7 @@ Supported Adducts:
34
34
 
35
35
  Example Usage:
36
36
  ```python
37
- from master.sample.lib import Lib
37
+ from masster.sample.lib import Lib
38
38
 
39
39
  # Create library instance
40
40
  lib = Lib()
@@ -63,7 +63,7 @@ import pyopenms as oms
63
63
 
64
64
  from tqdm import tqdm
65
65
 
66
- from master.chromatogram import Chromatogram
66
+ from masster.chromatogram import Chromatogram
67
67
  # Parameters removed - using hardcoded defaults
68
68
 
69
69
 
masster/sample/load.py CHANGED
@@ -47,10 +47,10 @@ import pyopenms as oms
47
47
 
48
48
  from tqdm import tqdm
49
49
 
50
- from master.chromatogram import Chromatogram
50
+ from masster.chromatogram import Chromatogram
51
51
 
52
52
  # Parameters removed - using hardcoded defaults
53
- from master.spectrum import Spectrum
53
+ from masster.spectrum import Spectrum
54
54
 
55
55
 
56
56
  def load(
@@ -556,12 +556,12 @@ def _load_wiff(
556
556
  filename=None,
557
557
  ):
558
558
  try:
559
- # Use master's own implementation first
560
- from master.sample.sciex import SciexWiffData as MasterSciexWiffData
559
+ # Use masster's own implementation first
560
+ from masster.sample.sciex import SciexWiffData as MasterSciexWiffData
561
561
 
562
562
  SciexWiffDataClass = MasterSciexWiffData
563
563
  except ImportError:
564
- # Fallback to alpharaw if master implementation fails
564
+ # Fallback to alpharaw if masster implementation fails
565
565
  from alpharaw.sciex import SciexWiffData as AlpharawSciexWiffData
566
566
 
567
567
  SciexWiffDataClass = AlpharawSciexWiffData
@@ -972,8 +972,8 @@ def index_file(self):
972
972
  try:
973
973
  from alpharaw.sciex import SciexWiffData
974
974
  except ImportError:
975
- # Fallback to master's own implementation
976
- from master.sample.sciex import SciexWiffData
975
+ # Fallback to masster's own implementation
976
+ from masster.sample.sciex import SciexWiffData
977
977
 
978
978
  raw_data = SciexWiffData(centroided=False)
979
979
  raw_data.keep_k_peaks_per_spec = self.parameters.max_points_per_spectrum
@@ -85,7 +85,7 @@ def update_parameters(self, **kwargs):
85
85
  - Individual parameter names and values (see sample_defaults for details)
86
86
  """
87
87
  # Import here to avoid circular imports
88
- from master.sample.defaults.sample_def import (
88
+ from masster.sample.defaults.sample_def import (
89
89
  sample_defaults as SampleDefaults,
90
90
  )
91
91
 
masster/sample/plot.py CHANGED
@@ -2073,7 +2073,7 @@ def plot_tic(
2073
2073
  return
2074
2074
 
2075
2075
  # Import helper locally to avoid circular imports
2076
- from master.study.helpers import get_tic
2076
+ from masster.study.helpers import get_tic
2077
2077
 
2078
2078
  # Delegate TIC computation to study helper which handles ms1_df and scans_df fallbacks
2079
2079
  try:
@@ -2128,7 +2128,7 @@ def plot_bpc(
2128
2128
  return
2129
2129
 
2130
2130
  # Import helper locally to avoid circular imports
2131
- from master.study.helpers import get_bpc
2131
+ from masster.study.helpers import get_bpc
2132
2132
 
2133
2133
  # Delegate BPC computation to study helper
2134
2134
  try:
@@ -8,13 +8,13 @@ import pyopenms as oms
8
8
 
9
9
  from tqdm import tqdm
10
10
 
11
- from master.spectrum import Spectrum
11
+ from masster.spectrum import Spectrum
12
12
  from .defaults.find_features_def import find_features_defaults
13
13
  from .defaults.find_ms2_def import find_ms2_defaults
14
14
  from .defaults.get_spectrum_def import get_spectrum_defaults
15
15
 
16
16
 
17
- from master.chromatogram import Chromatogram
17
+ from masster.chromatogram import Chromatogram
18
18
 
19
19
 
20
20
  def get_spectrum(self, scan, **kwargs):
masster/sample/sample.py CHANGED
@@ -23,7 +23,7 @@ Classes:
23
23
 
24
24
  Example Usage:
25
25
  ```python
26
- from master.sample import Sample
26
+ from masster.sample import Sample
27
27
 
28
28
  sample = Sample(file="example.mzML")
29
29
  sample.find_features()
@@ -38,87 +38,87 @@ import sys
38
38
 
39
39
  import polars as pl
40
40
 
41
- from master._version import get_version
42
- from master.logger import MasterLogger
41
+ from masster._version import get_version
42
+ from masster.logger import MasterLogger
43
43
 
44
- from master.sample.defaults.sample_def import sample_defaults
45
- from master.sample.defaults.find_features_def import find_features_defaults
46
- from master.sample.defaults.find_adducts_def import find_adducts_defaults
47
- from master.sample.defaults.find_ms2_def import find_ms2_defaults
48
- from master.sample.defaults.get_spectrum_def import get_spectrum_defaults
44
+ from masster.sample.defaults.sample_def import sample_defaults
45
+ from masster.sample.defaults.find_features_def import find_features_defaults
46
+ from masster.sample.defaults.find_adducts_def import find_adducts_defaults
47
+ from masster.sample.defaults.find_ms2_def import find_ms2_defaults
48
+ from masster.sample.defaults.get_spectrum_def import get_spectrum_defaults
49
49
 
50
50
  # Sample-specific imports
51
- from master.sample.h5 import _load_sample5
52
- from master.sample.h5 import _load_sample5_study
53
- from master.sample.h5 import _save_sample5
54
- from master.sample.helpers import _delete_ms2
55
- from master.sample.helpers import _estimate_memory_usage
56
- from master.sample.helpers import _get_scan_uids
57
- from master.sample.helpers import _get_feature_uids
58
- from master.sample.helpers import _features_sync
59
-
60
- # from master.sample.helpers import _parse_adduct_specs
61
- # from master.sample.helpers import _calculate_adduct_mass_shift
62
- # from master.sample.helpers import _parse_formula_expression
63
- # from master.sample.helpers import _calculate_molecular_mass
64
- # from master.sample.helpers import _parse_legacy_adduct_format
65
- # from master.sample.helpers import _extract_adduct_probability
66
- # from master.sample.helpers import _detect_adduct_groups_direct
67
- # from master.sample.helpers import _check_adduct_relationship
68
- from master.sample.adducts import _get_adducts
69
- from master.sample.adducts import find_adducts
70
- from master.sample.helpers import features_delete
71
- from master.sample.helpers import features_filter
72
- from master.sample.helpers import select
73
- from master.sample.helpers import select_closest_scan
74
- from master.sample.helpers import get_dda_stats
75
- from master.sample.helpers import get_feature
76
- from master.sample.helpers import get_scan
77
- from master.sample.helpers import get_eic
78
- from master.sample.helpers import set_source
79
- from master.sample.helpers import _recreate_feature_map
80
- from master.sample.helpers import _get_feature_map
81
- from master.sample.load import _load_featureXML
82
- from master.sample.load import _load_ms2data
83
- from master.sample.load import _load_mzML
84
- from master.sample.load import _load_raw
85
- from master.sample.load import _load_wiff
86
- from master.sample.load import chrom_extract
87
- from master.sample.load import index_file
88
- from master.sample.load import load
89
- from master.sample.load import load_noms1
90
- from master.sample.load import load_study
91
- from master.sample.load import sanitize
92
- from master.sample.plot import plot_2d
93
- from master.sample.plot import plot_2d_oracle
94
- from master.sample.plot import plot_dda_stats
95
- from master.sample.plot import plot_chrom
96
- from master.sample.plot import plot_feature_stats
97
- from master.sample.plot import plot_ms2_cycle
98
- from master.sample.plot import plot_ms2_eic
99
- from master.sample.plot import plot_ms2_q1
100
- from master.sample.plot import plot_bpc
101
- from master.sample.plot import plot_tic
102
- from master.sample.plot import _handle_sample_plot_output
103
- from master.sample.processing import _clean_features_df
104
- from master.sample.processing import _features_deisotope
105
- from master.sample.processing import _get_ztscan_stats
106
- from master.sample.processing import _spec_to_mat
107
- from master.sample.processing import analyze_dda
108
- from master.sample.processing import find_features
109
- from master.sample.processing import find_ms2
110
- from master.sample.processing import get_spectrum
111
- from master.sample.parameters import store_history
112
- from master.sample.parameters import get_parameters
113
- from master.sample.parameters import update_parameters
114
- from master.sample.parameters import get_parameters_property
115
- from master.sample.parameters import set_parameters_property
116
- from master.sample.save import _save_featureXML
117
- from master.sample.save import export_chrom
118
- from master.sample.save import export_dda_stats
119
- from master.sample.save import export_features
120
- from master.sample.save import export_mgf
121
- from master.sample.save import save
51
+ from masster.sample.h5 import _load_sample5
52
+ from masster.sample.h5 import _load_sample5_study
53
+ from masster.sample.h5 import _save_sample5
54
+ from masster.sample.helpers import _delete_ms2
55
+ from masster.sample.helpers import _estimate_memory_usage
56
+ from masster.sample.helpers import _get_scan_uids
57
+ from masster.sample.helpers import _get_feature_uids
58
+ from masster.sample.helpers import _features_sync
59
+
60
+ # from masster.sample.helpers import _parse_adduct_specs
61
+ # from masster.sample.helpers import _calculate_adduct_mass_shift
62
+ # from masster.sample.helpers import _parse_formula_expression
63
+ # from masster.sample.helpers import _calculate_molecular_mass
64
+ # from masster.sample.helpers import _parse_legacy_adduct_format
65
+ # from masster.sample.helpers import _extract_adduct_probability
66
+ # from masster.sample.helpers import _detect_adduct_groups_direct
67
+ # from masster.sample.helpers import _check_adduct_relationship
68
+ from masster.sample.adducts import _get_adducts
69
+ from masster.sample.adducts import find_adducts
70
+ from masster.sample.helpers import features_delete
71
+ from masster.sample.helpers import features_filter
72
+ from masster.sample.helpers import select
73
+ from masster.sample.helpers import select_closest_scan
74
+ from masster.sample.helpers import get_dda_stats
75
+ from masster.sample.helpers import get_feature
76
+ from masster.sample.helpers import get_scan
77
+ from masster.sample.helpers import get_eic
78
+ from masster.sample.helpers import set_source
79
+ from masster.sample.helpers import _recreate_feature_map
80
+ from masster.sample.helpers import _get_feature_map
81
+ from masster.sample.load import _load_featureXML
82
+ from masster.sample.load import _load_ms2data
83
+ from masster.sample.load import _load_mzML
84
+ from masster.sample.load import _load_raw
85
+ from masster.sample.load import _load_wiff
86
+ from masster.sample.load import chrom_extract
87
+ from masster.sample.load import index_file
88
+ from masster.sample.load import load
89
+ from masster.sample.load import load_noms1
90
+ from masster.sample.load import load_study
91
+ from masster.sample.load import sanitize
92
+ from masster.sample.plot import plot_2d
93
+ from masster.sample.plot import plot_2d_oracle
94
+ from masster.sample.plot import plot_dda_stats
95
+ from masster.sample.plot import plot_chrom
96
+ from masster.sample.plot import plot_feature_stats
97
+ from masster.sample.plot import plot_ms2_cycle
98
+ from masster.sample.plot import plot_ms2_eic
99
+ from masster.sample.plot import plot_ms2_q1
100
+ from masster.sample.plot import plot_bpc
101
+ from masster.sample.plot import plot_tic
102
+ from masster.sample.plot import _handle_sample_plot_output
103
+ from masster.sample.processing import _clean_features_df
104
+ from masster.sample.processing import _features_deisotope
105
+ from masster.sample.processing import _get_ztscan_stats
106
+ from masster.sample.processing import _spec_to_mat
107
+ from masster.sample.processing import analyze_dda
108
+ from masster.sample.processing import find_features
109
+ from masster.sample.processing import find_ms2
110
+ from masster.sample.processing import get_spectrum
111
+ from masster.sample.parameters import store_history
112
+ from masster.sample.parameters import get_parameters
113
+ from masster.sample.parameters import update_parameters
114
+ from masster.sample.parameters import get_parameters_property
115
+ from masster.sample.parameters import set_parameters_property
116
+ from masster.sample.save import _save_featureXML
117
+ from masster.sample.save import export_chrom
118
+ from masster.sample.save import export_dda_stats
119
+ from masster.sample.save import export_features
120
+ from masster.sample.save import export_mgf
121
+ from masster.sample.save import save
122
122
 
123
123
 
124
124
  class Sample:
@@ -329,20 +329,20 @@ class Sample:
329
329
 
330
330
  def _reload(self):
331
331
  """
332
- Reloads all master modules to pick up any changes to their source code,
332
+ Reloads all masster modules to pick up any changes to their source code,
333
333
  and updates the instance's class reference to the newly reloaded class version.
334
334
  This ensures that the instance uses the latest implementation without restarting the interpreter.
335
335
  """
336
336
  # Reset logger configuration flags to allow proper reconfiguration after reload
337
337
  try:
338
- import master.logger as logger_module
338
+ import masster.logger as logger_module
339
339
 
340
340
  if hasattr(logger_module, "_SAMPLE_LOGGER_CONFIGURED"):
341
341
  logger_module._SAMPLE_LOGGER_CONFIGURED = False
342
342
  except Exception:
343
343
  pass
344
344
 
345
- # Get the base module name (master)
345
+ # Get the base module name (masster)
346
346
  base_modname = self.__class__.__module__.split(".")[0]
347
347
  current_module = self.__class__.__module__
348
348
 
@@ -358,7 +358,7 @@ class Sample:
358
358
  ):
359
359
  sample_modules.append(module_name)
360
360
 
361
- # Add core master modules
361
+ # Add core masster modules
362
362
  core_modules = [
363
363
  f"{base_modname}._version",
364
364
  f"{base_modname}.chromatogram",
@@ -437,9 +437,9 @@ class Sample:
437
437
 
438
438
  def __str__(self):
439
439
  if self.features_df is None:
440
- str = f"master Sample, source: {os.path.basename(self.file_path)}, features: 0"
440
+ str = f"masster Sample, source: {os.path.basename(self.file_path)}, features: 0"
441
441
  else:
442
- str = f"master Sample, source: {os.path.basename(self.file_path)}, features: {len(self.features_df)}"
442
+ str = f"masster Sample, source: {os.path.basename(self.file_path)}, features: {len(self.features_df)}"
443
443
  return str
444
444
 
445
445
 
masster/sample/save.py CHANGED
@@ -67,7 +67,7 @@ import pyopenms as oms
67
67
  from tqdm import tqdm
68
68
 
69
69
  # Parameters removed - using hardcoded defaults
70
- from master.spectrum import combine_peaks
70
+ from masster.spectrum import combine_peaks
71
71
 
72
72
 
73
73
  def save(self, filename=None):
masster/spectrum.py CHANGED
@@ -138,10 +138,10 @@ class Spectrum:
138
138
 
139
139
  Example Usage:
140
140
  >>> import numpy as np
141
- >>> from master import spec
141
+ >>> from masster import Spectrum
142
142
  >>> mz = np.array([100.0, 150.0, 200.0, 250.0])
143
143
  >>> intensity = np.array([1000, 5000, 3000, 800])
144
- >>> spectrum = spec(mz=mz, inty=intensity, ms_level=1)
144
+ >>> spectrum = Spectrum(mz=mz, inty=intensity, ms_level=1)
145
145
  >>> spectrum.find_peaks()
146
146
  >>> spectrum.plot()
147
147
 
masster/study/__init__.py CHANGED
@@ -1,5 +1,5 @@
1
1
  """
2
- Study module for master.
2
+ Study module for masster.
3
3
 
4
4
  This module provides the Sample class for handling mass spectrometry data.
5
5
  """
masster/study/export.py CHANGED
@@ -10,9 +10,9 @@ import polars as pl
10
10
 
11
11
  from tqdm import tqdm
12
12
 
13
- from master.spectrum import combine_peaks
14
- from master.study.defaults import export_mgf_defaults
15
- from master._version import get_version
13
+ from masster.spectrum import combine_peaks
14
+ from masster.study.defaults import export_mgf_defaults
15
+ from masster._version import get_version
16
16
 
17
17
 
18
18
  def _get_mgf_df(self, **kwargs):
@@ -444,7 +444,7 @@ def export_mztab(self, filename: str = None, include_mgf=True, **kwargs) -> None
444
444
  full_id_data = None
445
445
  try:
446
446
  # Import here to avoid circular imports
447
- from master.study.id import get_id
447
+ from masster.study.id import get_id
448
448
 
449
449
  # Get full enriched identification data for SOME section
450
450
  full_id_data = get_id(self)
@@ -1157,7 +1157,7 @@ def export_xlsx(self, filename: str = None) -> None:
1157
1157
 
1158
1158
  # 3. Identification results
1159
1159
  try:
1160
- from master.study.id import get_id
1160
+ from masster.study.id import get_id
1161
1161
 
1162
1162
  id_df = get_id(self)
1163
1163
  if id_df is not None and not id_df.is_empty():
@@ -1272,7 +1272,7 @@ def export_parquet(self, basename: str = None) -> None:
1272
1272
 
1273
1273
  # 3. Identification results
1274
1274
  try:
1275
- from master.study.id import get_id
1275
+ from masster.study.id import get_id
1276
1276
 
1277
1277
  id_df = get_id(self)
1278
1278
  if id_df is not None and not id_df.is_empty():
masster/study/h5.py CHANGED
@@ -35,8 +35,8 @@ import h5py
35
35
  import polars as pl
36
36
  from tqdm import tqdm
37
37
 
38
- from master.chromatogram import Chromatogram
39
- from master.spectrum import Spectrum
38
+ from masster.chromatogram import Chromatogram
39
+ from masster.spectrum import Spectrum
40
40
 
41
41
 
42
42
  # Helper functions for HDF5 operations
@@ -1734,7 +1734,7 @@ def _load_study5(self, filename=None):
1734
1734
  self.history = {}
1735
1735
 
1736
1736
  # Reconstruct self.parameters from loaded history
1737
- from master.study.defaults.study_def import study_defaults
1737
+ from masster.study.defaults.study_def import study_defaults
1738
1738
 
1739
1739
  # Always create a fresh study_defaults object to ensure we have all defaults
1740
1740
  self.parameters = study_defaults()
masster/study/helpers.py CHANGED
@@ -22,7 +22,7 @@ import pandas as pd
22
22
  import polars as pl
23
23
 
24
24
  from tqdm import tqdm
25
- from master.chromatogram import Chromatogram
25
+ from masster.chromatogram import Chromatogram
26
26
 
27
27
 
28
28
  # =====================================================================================
@@ -816,7 +816,7 @@ def get_sample(self, sample):
816
816
 
817
817
  This helper mirrors the original Study.get_sample method but lives in helpers for reuse.
818
818
  """
819
- from master.sample.sample import Sample
819
+ from masster.sample.sample import Sample
820
820
 
821
821
  if isinstance(sample, Sample):
822
822
  return sample
@@ -942,7 +942,7 @@ def restore_features(self, samples=None, maps=False):
942
942
  maps (bool, optional): If True, also load featureXML data and update study.feature_maps.
943
943
  """
944
944
  import datetime
945
- from master.sample.sample import Sample
945
+ from masster.sample.sample import Sample
946
946
 
947
947
  if self.features_df is None or self.features_df.is_empty():
948
948
  self.logger.error("No features_df found in study.")
@@ -1100,8 +1100,8 @@ def restore_chrom(self, samples=None, mz_tol=0.010, rt_tol=10.0):
1100
1100
  """
1101
1101
  import datetime
1102
1102
  import numpy as np
1103
- from master.sample.sample import Sample
1104
- from master.chromatogram import Chromatogram
1103
+ from masster.sample.sample import Sample
1104
+ from masster.chromatogram import Chromatogram
1105
1105
 
1106
1106
  if self.features_df is None or self.features_df.is_empty():
1107
1107
  self.logger.error("No features_df found in study.")
@@ -2014,7 +2014,7 @@ def monkey_patch_study():
2014
2014
  as `features_select_original` if not already set, then replaces Study.features_select
2015
2015
  with the optimized `features_select` defined above. This function is idempotent.
2016
2016
  """
2017
- from master.study.study import Study
2017
+ from masster.study.study import Study
2018
2018
 
2019
2019
  # Only set original if it doesn't exist yet
2020
2020
  if not hasattr(Study, "features_select_original"):
@@ -2276,7 +2276,7 @@ def consensus_select(
2276
2276
  default_mz_tol = default_mz_tol.eic_mz_tol
2277
2277
  else:
2278
2278
  # Fallback to align_defaults if study parameters not available
2279
- from master.study.defaults.align_def import align_defaults
2279
+ from masster.study.defaults.align_def import align_defaults
2280
2280
 
2281
2281
  default_mz_tol = align_defaults().mz_max_diff
2282
2282
 
@@ -2314,7 +2314,7 @@ def consensus_select(
2314
2314
  default_rt_tol = default_rt_tol.eic_rt_tol
2315
2315
  else:
2316
2316
  # Fallback to align_defaults if study parameters not available
2317
- from master.study.defaults.align_def import align_defaults
2317
+ from masster.study.defaults.align_def import align_defaults
2318
2318
 
2319
2319
  default_rt_tol = align_defaults().rt_tol
2320
2320
 
@@ -3549,7 +3549,7 @@ def _ensure_features_df_schema_order(self):
3549
3549
  try:
3550
3550
  import os
3551
3551
  import json
3552
- from master.study.h5 import _reorder_columns_by_schema
3552
+ from masster.study.h5 import _reorder_columns_by_schema
3553
3553
 
3554
3554
  # Load schema
3555
3555
  schema_path = os.path.join(os.path.dirname(__file__), "study5_schema.json")
@@ -345,7 +345,7 @@ def monkey_patch_study():
345
345
 
346
346
  Call this function to replace the original features_select with the optimized version.
347
347
  """
348
- from master.study.study import Study
348
+ from masster.study.study import Study
349
349
 
350
350
  # Store original method for benchmarking
351
351
  Study.features_select_original = Study.features_select
masster/study/id.py CHANGED
@@ -36,7 +36,7 @@ def lib_load(
36
36
  """
37
37
  # Lazy import to avoid circular imports at module import time
38
38
  try:
39
- from master.lib.lib import Lib
39
+ from masster.lib.lib import Lib
40
40
  except Exception:
41
41
  Lib = None
42
42
 
@@ -58,7 +58,7 @@ def lib_load(
58
58
  if isinstance(lib_source, str):
59
59
  if Lib is None:
60
60
  raise ImportError(
61
- "Could not import master.lib.lib.Lib - required for CSV loading",
61
+ "Could not import masster.lib.lib.Lib - required for CSV loading",
62
62
  )
63
63
 
64
64
  lib_obj = Lib()
@@ -74,7 +74,7 @@ def lib_load(
74
74
 
75
75
  else:
76
76
  raise TypeError(
77
- "lib_source must be a CSV file path (str), a master.lib.Lib instance, or have a 'lib_df' attribute",
77
+ "lib_source must be a CSV file path (str), a masster.lib.Lib instance, or have a 'lib_df' attribute",
78
78
  )
79
79
 
80
80
  # Ensure lib_df is populated
@@ -159,7 +159,7 @@ def identify(study, features=None, params=None, **kwargs):
159
159
  """
160
160
  # Import defaults class
161
161
  try:
162
- from master.study.defaults.identify_def import identify_defaults
162
+ from masster.study.defaults.identify_def import identify_defaults
163
163
  except ImportError:
164
164
  identify_defaults = None
165
165
 
masster/study/load.py CHANGED
@@ -10,10 +10,10 @@ import pyopenms as oms
10
10
 
11
11
  from tqdm import tqdm
12
12
 
13
- from master.chromatogram import Chromatogram
14
- from master.study.defaults import fill_defaults
15
- from master.sample.sample import Sample
16
- from master.spectrum import Spectrum
13
+ from masster.chromatogram import Chromatogram
14
+ from masster.study.defaults import fill_defaults
15
+ from masster.sample.sample import Sample
16
+ from masster.spectrum import Spectrum
17
17
 
18
18
 
19
19
  # Pre-import heavy modules to avoid repeated loading in add_sample()
@@ -533,7 +533,7 @@ def fill_single(self, **kwargs):
533
533
  min_samples_abs: Absolute minimum sample threshold (default: 2)
534
534
  """
535
535
  # parameters initialization
536
- from master.study.defaults import fill_defaults
536
+ from masster.study.defaults import fill_defaults
537
537
 
538
538
  params = fill_defaults()
539
539
 
masster/study/plot.py CHANGED
@@ -1132,7 +1132,7 @@ def plot_bpc(
1132
1132
  from bokeh.plotting import figure, show, output_file
1133
1133
  from bokeh.models import ColumnDataSource, HoverTool
1134
1134
  from bokeh.io.export import export_png
1135
- from master.study.helpers import get_bpc
1135
+ from masster.study.helpers import get_bpc
1136
1136
 
1137
1137
  sample_uids = self._get_sample_uids(samples)
1138
1138
  if not sample_uids:
@@ -1309,7 +1309,7 @@ def plot_eic(
1309
1309
  from bokeh.plotting import figure, show, output_file
1310
1310
  from bokeh.models import ColumnDataSource, HoverTool
1311
1311
  from bokeh.io.export import export_png
1312
- from master.study.helpers import get_eic
1312
+ from masster.study.helpers import get_eic
1313
1313
 
1314
1314
  # Use study's eic_mz_tol parameter as default if not provided
1315
1315
  if mz_tol is None:
@@ -2325,7 +2325,7 @@ def plot_tic(
2325
2325
  from bokeh.plotting import figure, show, output_file
2326
2326
  from bokeh.models import ColumnDataSource, HoverTool
2327
2327
  from bokeh.io.export import export_png
2328
- from master.study.helpers import get_tic
2328
+ from masster.study.helpers import get_tic
2329
2329
 
2330
2330
  sample_uids = self._get_sample_uids(samples)
2331
2331
  if not sample_uids:
@@ -8,7 +8,7 @@ import pyopenms as oms
8
8
 
9
9
  from tqdm import tqdm
10
10
 
11
- from master.study.defaults import (
11
+ from masster.study.defaults import (
12
12
  align_defaults,
13
13
  find_ms2_defaults,
14
14
  integrate_defaults,
masster/study/save.py CHANGED
@@ -9,7 +9,7 @@ import pyopenms as oms
9
9
 
10
10
  from tqdm import tqdm
11
11
 
12
- from master.sample.sample import Sample
12
+ from masster.sample.sample import Sample
13
13
 
14
14
 
15
15
  def save(self, filename=None, add_timestamp=True, compress=False):
masster/study/study.py CHANGED
@@ -52,111 +52,111 @@ import sys
52
52
  import polars as pl
53
53
 
54
54
  # Study-specific imports
55
- from master.study.h5 import _load_study5
56
- from master.study.h5 import _save_study5
57
- from master.study.h5 import _save_study5_compressed
58
- from master.study.helpers import _get_consensus_uids
59
- from master.study.helpers import _get_feature_uids
60
- from master.study.helpers import _get_sample_uids
61
- from master.study.helpers import _ensure_features_df_schema_order
62
- from master.study.helpers import compress
63
- from master.study.helpers import compress_features
64
- from master.study.helpers import compress_ms2
65
- from master.study.helpers import compress_chrom
66
- from master.study.helpers import restore_features
67
- from master.study.helpers import restore_chrom
68
- from master.study.helpers import restore_ms2
69
- from master.study.helpers import decompress
70
- from master.study.helpers import fill_reset
71
- from master.study.helpers import get_chrom
72
- from master.study.helpers import get_sample
73
- from master.study.helpers import get_consensus
74
- from master.study.helpers import get_consensus_matches
75
- from master.study.helpers import get_consensus_matrix
76
- from master.study.helpers import get_orphans
77
- from master.study.helpers import get_gaps_matrix
78
- from master.study.helpers import get_gaps_stats
79
- from master.study.helpers import align_reset
80
- from master.study.helpers import set_folder
81
- from master.study.helpers import set_source
82
- from master.study.helpers import sample_color
83
- from master.study.helpers import sample_color_reset
84
- from master.study.helpers import sample_name_replace
85
- from master.study.helpers import sample_name_reset
86
- from master.study.helpers import samples_select
87
- from master.study.helpers import samples_delete
88
- from master.study.helpers import features_select
89
- from master.study.helpers import features_filter
90
- from master.study.helpers import features_delete
91
- from master.study.helpers import consensus_select
92
- from master.study.helpers import consensus_filter
93
- from master.study.helpers import consensus_delete
94
- from master.study.load import add
95
- from master.study.load import add_sample
96
- from master.study.load import _add_samples_batch
97
- from master.study.load import _add_sample_optimized
98
- from master.study.load import _add_sample_standard
99
- from master.study.load import _sample_color_reset_optimized
100
- from master.study.load import fill_single
101
- from master.study.load import fill
102
- from master.study.load import _process_sample_for_parallel_fill
103
- from master.study.load import _get_missing_consensus_sample_combinations
104
- from master.study.load import load
105
- from master.study.load import _load_consensusXML
106
- from master.study.load import load_features
107
- from master.study.load import sanitize
108
- from master.study.plot import plot_alignment
109
- from master.study.plot import plot_consensus_2d
110
- from master.study.plot import plot_samples_2d
111
- from master.study.plot import plot_consensus_stats
112
- from master.study.plot import plot_chrom
113
- from master.study.plot import plot_pca
114
- from master.study.plot import plot_bpc
115
- from master.study.plot import plot_tic
116
- from master.study.plot import plot_eic
117
- from master.study.plot import plot_rt_correction
118
- from master.study.processing import align
119
- from master.study.processing import merge
120
- from master.study.processing import integrate
121
- from master.study.processing import find_ms2
122
- from master.study.parameters import store_history
123
- from master.study.parameters import get_parameters
124
- from master.study.parameters import update_parameters
125
- from master.study.parameters import get_parameters_property
126
- from master.study.parameters import set_parameters_property
127
- from master.study.save import save, save_consensus, _save_consensusXML, save_samples
128
- from master.study.export import (
55
+ from masster.study.h5 import _load_study5
56
+ from masster.study.h5 import _save_study5
57
+ from masster.study.h5 import _save_study5_compressed
58
+ from masster.study.helpers import _get_consensus_uids
59
+ from masster.study.helpers import _get_feature_uids
60
+ from masster.study.helpers import _get_sample_uids
61
+ from masster.study.helpers import _ensure_features_df_schema_order
62
+ from masster.study.helpers import compress
63
+ from masster.study.helpers import compress_features
64
+ from masster.study.helpers import compress_ms2
65
+ from masster.study.helpers import compress_chrom
66
+ from masster.study.helpers import restore_features
67
+ from masster.study.helpers import restore_chrom
68
+ from masster.study.helpers import restore_ms2
69
+ from masster.study.helpers import decompress
70
+ from masster.study.helpers import fill_reset
71
+ from masster.study.helpers import get_chrom
72
+ from masster.study.helpers import get_sample
73
+ from masster.study.helpers import get_consensus
74
+ from masster.study.helpers import get_consensus_matches
75
+ from masster.study.helpers import get_consensus_matrix
76
+ from masster.study.helpers import get_orphans
77
+ from masster.study.helpers import get_gaps_matrix
78
+ from masster.study.helpers import get_gaps_stats
79
+ from masster.study.helpers import align_reset
80
+ from masster.study.helpers import set_folder
81
+ from masster.study.helpers import set_source
82
+ from masster.study.helpers import sample_color
83
+ from masster.study.helpers import sample_color_reset
84
+ from masster.study.helpers import sample_name_replace
85
+ from masster.study.helpers import sample_name_reset
86
+ from masster.study.helpers import samples_select
87
+ from masster.study.helpers import samples_delete
88
+ from masster.study.helpers import features_select
89
+ from masster.study.helpers import features_filter
90
+ from masster.study.helpers import features_delete
91
+ from masster.study.helpers import consensus_select
92
+ from masster.study.helpers import consensus_filter
93
+ from masster.study.helpers import consensus_delete
94
+ from masster.study.load import add
95
+ from masster.study.load import add_sample
96
+ from masster.study.load import _add_samples_batch
97
+ from masster.study.load import _add_sample_optimized
98
+ from masster.study.load import _add_sample_standard
99
+ from masster.study.load import _sample_color_reset_optimized
100
+ from masster.study.load import fill_single
101
+ from masster.study.load import fill
102
+ from masster.study.load import _process_sample_for_parallel_fill
103
+ from masster.study.load import _get_missing_consensus_sample_combinations
104
+ from masster.study.load import load
105
+ from masster.study.load import _load_consensusXML
106
+ from masster.study.load import load_features
107
+ from masster.study.load import sanitize
108
+ from masster.study.plot import plot_alignment
109
+ from masster.study.plot import plot_consensus_2d
110
+ from masster.study.plot import plot_samples_2d
111
+ from masster.study.plot import plot_consensus_stats
112
+ from masster.study.plot import plot_chrom
113
+ from masster.study.plot import plot_pca
114
+ from masster.study.plot import plot_bpc
115
+ from masster.study.plot import plot_tic
116
+ from masster.study.plot import plot_eic
117
+ from masster.study.plot import plot_rt_correction
118
+ from masster.study.processing import align
119
+ from masster.study.processing import merge
120
+ from masster.study.processing import integrate
121
+ from masster.study.processing import find_ms2
122
+ from masster.study.parameters import store_history
123
+ from masster.study.parameters import get_parameters
124
+ from masster.study.parameters import update_parameters
125
+ from masster.study.parameters import get_parameters_property
126
+ from masster.study.parameters import set_parameters_property
127
+ from masster.study.save import save, save_consensus, _save_consensusXML, save_samples
128
+ from masster.study.export import (
129
129
  export_mgf,
130
130
  export_mztab,
131
131
  export_xlsx,
132
132
  export_parquet,
133
133
  _get_mgf_df,
134
134
  )
135
- from master.study.id import lib_load, identify, get_id, id_reset, lib_reset
136
- from master.study.id import (
135
+ from masster.study.id import lib_load, identify, get_id, id_reset, lib_reset
136
+ from masster.study.id import (
137
137
  _get_adducts,
138
138
  _calculate_formula_mass_shift,
139
139
  _format_adduct_name,
140
140
  _parse_element_counts,
141
141
  )
142
142
 
143
- from master.logger import MasterLogger
144
- from master.study.defaults.study_def import study_defaults
145
- from master.study.defaults.align_def import align_defaults
146
- from master.study.defaults.export_def import export_mgf_defaults
147
- from master.study.defaults.fill_chrom_def import fill_chrom_defaults
148
- from master.study.defaults.fill_def import fill_defaults
149
- from master.study.defaults.find_consensus_def import find_consensus_defaults
150
- from master.study.defaults.find_ms2_def import find_ms2_defaults
151
- from master.study.defaults.integrate_chrom_def import integrate_chrom_defaults
152
- from master.study.defaults.integrate_def import integrate_defaults
153
- from master.study.defaults.merge_def import merge_defaults
143
+ from masster.logger import MasterLogger
144
+ from masster.study.defaults.study_def import study_defaults
145
+ from masster.study.defaults.align_def import align_defaults
146
+ from masster.study.defaults.export_def import export_mgf_defaults
147
+ from masster.study.defaults.fill_chrom_def import fill_chrom_defaults
148
+ from masster.study.defaults.fill_def import fill_defaults
149
+ from masster.study.defaults.find_consensus_def import find_consensus_defaults
150
+ from masster.study.defaults.find_ms2_def import find_ms2_defaults
151
+ from masster.study.defaults.integrate_chrom_def import integrate_chrom_defaults
152
+ from masster.study.defaults.integrate_def import integrate_defaults
153
+ from masster.study.defaults.merge_def import merge_defaults
154
154
 
155
155
  # Import sample defaults
156
- from master.sample.defaults.sample_def import sample_defaults
157
- from master.sample.defaults.find_features_def import find_features_defaults
158
- from master.sample.defaults.find_adducts_def import find_adducts_defaults
159
- from master.sample.defaults.get_spectrum_def import get_spectrum_defaults
156
+ from masster.sample.defaults.sample_def import sample_defaults
157
+ from masster.sample.defaults.find_features_def import find_features_defaults
158
+ from masster.sample.defaults.find_adducts_def import find_adducts_defaults
159
+ from masster.sample.defaults.get_spectrum_def import get_spectrum_defaults
160
160
 
161
161
  # Warning symbols for info display
162
162
  _WARNING_SYMBOL = "⚠️" # Yellow warning triangle
@@ -188,8 +188,8 @@ class Study:
188
188
  - `export_consensus()`: Export consensus features for downstream analysis.
189
189
 
190
190
  Example Usage:
191
- >>> from master import study
192
- >>> study_obj = study(folder="./data")
191
+ >>> from masster import Study
192
+ >>> study_obj = Study(folder="./data")
193
193
  >>> study_obj.load_folder("./mzml_files")
194
194
  >>> study_obj.process_all()
195
195
  >>> study_obj.align()
@@ -479,20 +479,20 @@ class Study:
479
479
 
480
480
  def _reload(self):
481
481
  """
482
- Reloads all master modules to pick up any changes to their source code,
482
+ Reloads all masster modules to pick up any changes to their source code,
483
483
  and updates the instance's class reference to the newly reloaded class version.
484
484
  This ensures that the instance uses the latest implementation without restarting the interpreter.
485
485
  """
486
486
  # Reset logger configuration flags to allow proper reconfiguration after reload
487
487
  """ try:
488
- import master.sample.logger as logger_module
488
+ import masster.sample.logger as logger_module
489
489
 
490
490
  if hasattr(logger_module, "_STUDY_LOGGER_CONFIGURED"):
491
491
  logger_module._STUDY_LOGGER_CONFIGURED = False
492
492
  except Exception:
493
493
  pass"""
494
494
 
495
- # Get the base module name (master)
495
+ # Get the base module name (masster)
496
496
  base_modname = self.__class__.__module__.split(".")[0]
497
497
  current_module = self.__class__.__module__
498
498
 
@@ -508,7 +508,7 @@ class Study:
508
508
  ):
509
509
  study_modules.append(module_name)
510
510
 
511
- # Add core master modules
511
+ # Add core masster modules
512
512
  core_modules = [
513
513
  f"{base_modname}._version",
514
514
  f"{base_modname}.chromatogram",
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: masster
3
- Version: 0.4.5
3
+ Version: 0.4.6
4
4
  Summary: Mass spectrometry data analysis package
5
5
  Author: Zamboni Lab
6
6
  License-Expression: AGPL-3.0-only
@@ -32,17 +32,17 @@ Requires-Dist: marimo>=0.14.16
32
32
  Requires-Dist: matplotlib>=3.8.0
33
33
  Requires-Dist: pandas>=2.2.0
34
34
  Requires-Dist: panel>=1.7.0
35
- Requires-Dist: polars>=1.0.0
36
35
  Requires-Dist: pyopenms>=3.3.0
37
36
  Requires-Dist: pyteomics>=4.7.0
38
37
  Requires-Dist: pythonnet>=3.0.0
39
- Requires-Dist: scipy>=1.12.0
40
38
  Requires-Dist: tqdm>=4.65.0
41
39
  Requires-Dist: openpyxl>=3.1.5
42
40
  Requires-Dist: cmap>=0.6.2
43
41
  Requires-Dist: altair>=5.5.0
44
42
  Requires-Dist: scikit-learn>=1.7.1
45
43
  Requires-Dist: ipython>=9.4.0
44
+ Requires-Dist: scipy>=1.14.1
45
+ Requires-Dist: polars>=1.32.3
46
46
  Provides-Extra: dev
47
47
  Requires-Dist: pytest>=7.0.0; extra == "dev"
48
48
  Requires-Dist: pytest-cov>=4.0.0; extra == "dev"
@@ -1,8 +1,8 @@
1
- masster/__init__.py,sha256=ew7NLZoNITjngEGNArMoSZ-pRZMNoKncfjrBr3hFOTw,730
1
+ masster/__init__.py,sha256=8U4cIteNlYyHDrxWSbB_MsDKCX9tds07SJG8-vh8Oa8,738
2
2
  masster/_version.py,sha256=VO89cZ_6MtW0W_P2yFvZpdGOhoWdoBYiY0efEf1SqsA,256
3
- masster/chromatogram.py,sha256=JrlvhuH-jUkA6YLeytrs4DEx2MlbrUNcyHm_JYVuOzE,19304
4
- masster/logger.py,sha256=XePn7BUOmfHjy936IlfCDzIsk2SBmVQNT0wOznf6GLI,14744
5
- masster/spectrum.py,sha256=pYaRwurCcPCZ6JLUjhrNQtdfv5u9LVTPTzUGFaeokXs,47709
3
+ masster/chromatogram.py,sha256=iYpdv8C17zVnlWvOFgAn9ns2uFGiF-GgoYf5QVVAbHs,19319
4
+ masster/logger.py,sha256=WoJSi6si7F04hhSfE9wqBvHLuZkw3YGCgPd3vn6bgCE,14747
5
+ masster/spectrum.py,sha256=_upC_g2N9gwTaflXAugs9pSXpKUmzbIehofDordk7WI,47718
6
6
  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
7
7
  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
8
8
  masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C008_v6_r38_01.sample5,sha256=dSd2cIgYYdRcNSzkhqlZCeWKi3x8Hhhcx8BFMuiVG4c,11382948
@@ -18,19 +18,19 @@ masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecR
18
18
  masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2,sha256=TFB0HW4Agkig6yht7FtgjUdbXax8jjKaHpSZSvuU5vs,3252224
19
19
  masster/lib/__init__.py,sha256=TcePNx3SYZHz6763TL9Sg4gUNXaRWjlrOtyS6vsu-hg,178
20
20
  masster/lib/lib.py,sha256=seAOqzat74iF6YnbNakU3rF5MN5t9WABIpcIPTvU1q8,24987
21
- masster/sample/__init__.py,sha256=nZ7wqDRqYVFnm9fvTJXnlTbxSMqulQC1RKR7WwDaSoY,169
22
- masster/sample/adducts.py,sha256=SIJsPI-3dtnoo2wA4E75kg8uiBVrVDTX6J0VW_Dawlw,32589
23
- masster/sample/h5.py,sha256=2UnPspkn2v0_iZS_aZsb-JjlxTld2Ts2DGpzqrqBDSw,111882
21
+ masster/sample/__init__.py,sha256=HL0m1ept0PMAYUCQtDDnkdOS12IFl6oLAq4TZQz83uY,170
22
+ masster/sample/adducts.py,sha256=jdtkkiMFeObRv3myluUx--IfpRsEq3-hPgkCb2VUxy4,32590
23
+ masster/sample/h5.py,sha256=nl7zVExroa4k4-8YJWLU-Ipyj_ynrqqGmqJ5km8DAr4,111886
24
24
  masster/sample/helpers.py,sha256=JhzFpNh7j7YVUibIMuPQ50hBcGDEBCaBbmwA3Z5OhgM,41336
25
- masster/sample/lib.py,sha256=nBbSD6W68NuR-Xfd9LKFMY_L_oQnVwb8KyJEbasDJSE,33753
26
- masster/sample/load.py,sha256=CrwUwmBaC6sn78MGS0r3s13pC2aKicJZUsdOdt4HAEk,50978
27
- masster/sample/parameters.py,sha256=pxWYqMKFvU-MreDZAF9Ey7_Z0Y6PaG0F8VHrfIUy3SI,4455
28
- masster/sample/plot.py,sha256=uM6RlgWK-IURdC0jUvu0jheYvQYKFtWom0dzrYNRqfU,82755
29
- masster/sample/processing.py,sha256=KMRNrXLcvvD4NmGjDjsMqV6qgHqIWlhsk5Du-4xcm3M,49769
25
+ masster/sample/lib.py,sha256=E-j9c3Wd8f9a-H8xj7CAOwlA8KcyXPoFyYm3c8r7LtI,33755
26
+ masster/sample/load.py,sha256=ie8krEADEPKMP35D6pTkuajvSP2il7gcmxn5gg86Qco,50985
27
+ masster/sample/parameters.py,sha256=Gg2KcuNbV_wZ_Wwv93QlM5J19ji0oSIvZLPV1NoBmq0,4456
28
+ masster/sample/plot.py,sha256=abLnG0Bk75vqSGQz6uA3uTK3IE9N-s687ZH-n8Mhdzg,82757
29
+ masster/sample/processing.py,sha256=lCHRv290oAFOxe_zR5GMi4FdxodjJh1rj2uLWy_wHnc,49771
30
30
  masster/sample/quant.py,sha256=tHNjvUFTdehKR31BXBZnVsBxMD9XJHgaltITOjr71uE,7562
31
- masster/sample/sample.py,sha256=p5lgs7GMf94Uqmog6YKshuoWAy-yrk9gf-zxncYwzog,18267
31
+ masster/sample/sample.py,sha256=i9bnNOQCD33awRyIf6UIq7fV-FB8MqeSvygoPaFfJTU,18351
32
32
  masster/sample/sample5_schema.json,sha256=EKHVKXhqMqsavO34A4AJLPpysW0s2iLuLwjeTJP9R_8,3916
33
- masster/sample/save.py,sha256=gaENxcrPDU5W3XoyROaDUWCKae468H-Np1-_LMO6s1Q,32499
33
+ masster/sample/save.py,sha256=XZl5ITYdOjojYFOoUZ-0ygVSPH1kT5Va6e8NyuTRNAI,32500
34
34
  masster/sample/sciex.py,sha256=vnbxsq_qnAQVuzcpziP1o3IC4kM5amGBcPmC2TAuDLw,46319
35
35
  masster/sample/defaults/__init__.py,sha256=A09AOP44cxD_oYohyt7XFUho0zndRcrzVD4DUaGnKH4,447
36
36
  masster/sample/defaults/find_adducts_def.py,sha256=Bu2KiBJRxD0SAnOPNMm_Nk-6fx6QYoRXjFNGzz-0_o0,13570
@@ -38,18 +38,18 @@ masster/sample/defaults/find_features_def.py,sha256=Bcd39uav1BniwKgrsB-I1maF3ljf
38
38
  masster/sample/defaults/find_ms2_def.py,sha256=KTELMAnioGLYbhzAwOgK14TZqboPEvzeBN0HC-v0Z5A,9872
39
39
  masster/sample/defaults/get_spectrum_def.py,sha256=o62p31PhGd-LiIkTOzKQhwPtnO2AtQDHcPu-O-YoQPs,11460
40
40
  masster/sample/defaults/sample_def.py,sha256=keoXyMyrm_iLgbYqfIbqCpJ3XHBVlNwCNmb5iMQL0iY,14579
41
- masster/study/__init__.py,sha256=OoxY1JtskLSWNL2zzieQb-xW4vWEGpE3nz5fkQyVMsU,165
42
- masster/study/export.py,sha256=CGiKT-lPBAS-qRt_vosIgFM-pdE6DhCv38wS8aZYKaw,54809
43
- masster/study/h5.py,sha256=wG9A2mbHdbhkWCfW1J5xRatnwW_lflgmvAdBt_eQTIQ,84057
44
- masster/study/helpers.py,sha256=Lt3tLRf5yEmUKL5_NqdNIp6lAFCXe_0yEhmQ65ihLfw,152446
45
- masster/study/helpers_optimized.py,sha256=kKKvcUjRSfvcJBqYyqnCcVvXvVYgffV2mxQgxJRYmsI,13926
46
- masster/study/id.py,sha256=3mFP2HymkQJ6Hf3oep1P5ti2zgMbimGBLW3ezEnvNzc,44719
47
- masster/study/load.py,sha256=reIkcM7zDeKK-KkfcOzy2c1Bp2g1h1K1uGaDr04Zvbw,70457
41
+ masster/study/__init__.py,sha256=Zspv6U8jFqjkHGYdNdDy1rfUnCSolCzUdgSSg98PRgE,166
42
+ masster/study/export.py,sha256=OIr2rXFtzE8n8MyO5Azq4eVuju2kzKiIrtNoIBGF-40,54815
43
+ masster/study/h5.py,sha256=7m4-on04e3d0aNPNdSHPqnUXJgHmlzHHYaVHwwRF9Xc,84060
44
+ masster/study/helpers.py,sha256=t6yHmyolRnzJseeFQZTv5GKZ6FMoMczlHMsJnRJsfAk,152455
45
+ masster/study/helpers_optimized.py,sha256=5qf6tiLPgsOSna9XVtTrx2B0GJ1wI8ZTrSv8n8MtxNg,13927
46
+ masster/study/id.py,sha256=EOw-2dM8nnx8QcQF1qAFfGqql75JusONuDBjmAuMU2w,44723
47
+ masster/study/load.py,sha256=-pdBJdC4-vQWG1JSKucZot9XKJMECvHEwaTA1Kmm0JE,70462
48
48
  masster/study/parameters.py,sha256=0elaF7YspTsB7qyajWAbRNL2VfKlGz5GJLifmO8IGkk,3276
49
- masster/study/plot.py,sha256=Ivc5eaWQklr_bXD4LHNKdBxQBbq0grJh_Z6RVxucKZA,93852
50
- masster/study/processing.py,sha256=d6CxAyIqwWUJhpxgFwnNCd7jSz13swAFTOfpi4h2fxs,73932
51
- masster/study/save.py,sha256=xCXPw9g_l4Ox9RHNP76c6Z26v1cg4wgP-hQ2-RU74E8,6703
52
- masster/study/study.py,sha256=7PZYkwi8pZsWoW2rrROPfM0E_Uy-E4MIpX0qibSYydA,34748
49
+ masster/study/plot.py,sha256=VBj1seZGGDJ9KGw8pmjuitn5H_tck1IPWSduWk57m3s,93855
50
+ masster/study/processing.py,sha256=Wmfwzi29kD_u248o0Cc40fgub-RBio483SsTxqwpjAk,73933
51
+ masster/study/save.py,sha256=F_H34zmvxV54Ds64ju90JJLy_F4hg6nRdHhJ9ssWKLA,6704
52
+ masster/study/study.py,sha256=stEyhkQFo2yM2swahFPo4XTbLpklzJ7_xJsu0y1lnuY,34844
53
53
  masster/study/study5_schema.json,sha256=06cB473eo_IzzbsT1Q9W4-svNTdgNJhCS86NVpuyySI,7246
54
54
  masster/study/defaults/__init__.py,sha256=m3Z5KXGqsTdh7GjYzZoENERt39yRg0ceVRV1DeCt1P0,610
55
55
  masster/study/defaults/align_def.py,sha256=hHQbGgsOqMRHHr0Wn8Onr8XeaRz3-fFE0qGE-OMst80,20324
@@ -63,9 +63,9 @@ masster/study/defaults/integrate_chrom_def.py,sha256=0MNIWGTjty-Zu-NTQsIweuj3UVq
63
63
  masster/study/defaults/integrate_def.py,sha256=Vf4SAzdBfnsSZ3IRaF0qZvWu3gMDPHdgPfMYoPKeWv8,7246
64
64
  masster/study/defaults/merge_def.py,sha256=EBsKE3hsAkTEzN9dpdRD5W3_suTKy_WZ_96rwS0uBuE,8572
65
65
  masster/study/defaults/study_def.py,sha256=h8dYbi9xv0sesCSQik49Z53IkskMmNtW6ixl7it5pL0,16033
66
- masster-0.4.5.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
67
- masster-0.4.5.dist-info/METADATA,sha256=cfxWTY5LDYX3xcgC2oMHjE8W8v3Ljvika5HcKheEY7k,4585
68
- masster-0.4.5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
69
- masster-0.4.5.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
70
- masster-0.4.5.dist-info/top_level.txt,sha256=MPZokk6zWIP_UhQ_VkKxSTG63eM4WGu9oTcMpQXp7NI,8
71
- masster-0.4.5.dist-info/RECORD,,
66
+ masster-0.4.6.dist-info/licenses/LICENSE,sha256=bx5iLIKjgAdYQ7sISn7DsfHRKkoCUm1154sJJKhgqnU,35184
67
+ masster-0.4.6.dist-info/METADATA,sha256=teSd_NJ7grgFyakj2BJgFo4ixrpYSi4FdZQSONMv1Gk,4586
68
+ masster-0.4.6.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
69
+ masster-0.4.6.dist-info/entry_points.txt,sha256=ZHguQ_vPmdbpqq2uGtmEOLJfgP-DQ1T0c07Lxh30wc8,58
70
+ masster-0.4.6.dist-info/top_level.txt,sha256=MPZokk6zWIP_UhQ_VkKxSTG63eM4WGu9oTcMpQXp7NI,8
71
+ masster-0.4.6.dist-info/RECORD,,