@morscherlab/mint-sdk 1.3.0-beta.9 → 1.3.1

package/src/__tests__/composables/autoGroup/fieldEdits.test.ts

@@ -0,0 +1,74 @@
+import { describe, it, expect } from 'vitest'
+import { useAutoGroup } from '../../../composables/useAutoGroup'
+
+function engineFor(samples: string[]) {
+  const engine = useAutoGroup()
+  engine.rawText.value = samples.join('\n')
+  engine.parseInput()
+  return engine
+}
+
+// Two tissue classes; fields 2-4 are factors in both.
+const twoClasses = ['Liver', 'Kidney'].flatMap(tissue =>
+  ['A', 'B'].flatMap(first => ['C', 'D'].flatMap(second => ['E', 'F'].map(third => `${tissue}_${first}_${second}_${third}_rep1`))),
+)
+const designWithReplicates = ['WT', 'KO'].flatMap(genotype =>
+  ['Vehicle', 'Drug'].flatMap(treatment => ['1', '2', '3'].map(replicate => `${genotype}-${treatment}-${replicate}`)),
+)
+
+describe('useAutoGroup field edits', () => {
+  it('should name a column Field N when no name can be inferred', () => {
+    expect(engineFor(designWithReplicates).activeSchema.value?.columns[0].name).toBe('Field 1')
+  })
+
+  it('should rename the field in every class when renaming by field key', () => {
+    const engine = engineFor(twoClasses)
+    engine.renameGroupByField('Field 3', 'Dose')
+    const names = Object.values(engine.schemas.value).map(schema => schema.columns[2].displayName)
+    expect(names).toEqual(['Dose', 'Dose'])
+  })
+
+  it('should keep the old name when another field already has the new name', () => {
+    const engine = engineFor(twoClasses)
+    engine.renameGroupByField('Field 3', 'Field 2')
+    expect(engine.activeSchema.value?.columns[2].displayName).toBeUndefined()
+  })
+
+  it('should keep the old name when the new name is blank', () => {
+    const engine = engineFor(twoClasses)
+    engine.renameGroupByField('Field 3', '   ')
+    expect(engine.activeSchema.value?.columns[2].displayName).toBeUndefined()
+  })
+
+  it('should use the new name in the sample metadata when a field is renamed', () => {
+    const engine = engineFor(designWithReplicates)
+    engine.renameGroupByField('Field 1', 'Genotype')
+    expect(engine.result.value.metadata[0].fields.Genotype).toBe('WT')
+  })
+
+  it('should report the number of groups that remain when a field is switched off', () => {
+    expect(engineFor(designWithReplicates).groupCountWithout('Field 2')).toBe(2)
+  })
+
+  it('should leave the grouping unchanged when it reports the count for a field', () => {
+    const engine = engineFor(designWithReplicates)
+    engine.groupCountWithout('Field 2')
+    expect(engine.result.value.experimentalGroups).toHaveLength(4)
+  })
+})
+
+describe('useAutoGroup field edits across classes', () => {
+  // Two token-length classes. `Field 2` is a factor in the short names and a
+  // constant in the long names, which have their own factor `Field 3`.
+  const twoLengths = [
+    'Liver_A_rep1', 'Liver_A_rep2', 'Liver_B_rep1', 'Liver_B_rep2',
+    'Liver_c_P_rep1', 'Liver_c_P_rep2', 'Liver_c_Q_rep1', 'Liver_c_Q_rep2',
+  ]
+
+  it('should keep the old name when a field of another class already has the new name', () => {
+    const engine = engineFor(twoLengths)
+    engine.renameGroupByField('Field 2', 'Field 3')
+    const renamed = Object.values(engine.schemas.value).flatMap(schema => schema.columns).filter(c => c.displayName)
+    expect(renamed).toEqual([])
+  })
+})

package/src/__tests__/composables/autoGroup/fingerprint.test.ts

@@ -120,3 +120,12 @@ describe('fingerprint round-trip', () => {
     expect(five?.columns).toHaveLength(2)
   })
 })
+
+describe('fingerprint of an overlay class', () => {
+  it('should restore a snapshot that holds a token length when the current overlay class has none', () => {
+    const column = { index: 0, name: 'A', sourceIndices: [0], uniqueValues: ['x'], cardinality: 1, role: 'constant' as const }
+    const saved = serializeFingerprint([{ classKind: 'iqc', tokenLength: 5, columns: [column], groupBy: [] }])
+    const restored = restoreFingerprint(saved, [{ classKind: 'iqc', columns: [column], groupBy: [] }])
+    expect(restored).toHaveLength(1)
+  })
+})

package/src/__tests__/composables/autoGroup/golden.test.ts

@@ -0,0 +1,187 @@
+import { describe, it, expect } from 'vitest'
+import { readFileSync } from 'node:fs'
+import { resolve } from 'node:path'
+import { useAutoGroup } from '../../../composables/useAutoGroup'
+
+// End-to-end defaults of the paste path: sample names in, group names and sizes
+// out. Fixtures `share-*.txt` are real batches from the lab's mass-spec share.
+
+function engineFor(samples: string[]) {
+  const engine = useAutoGroup()
+  engine.rawText.value = samples.join('\n')
+  engine.parseInput()
+  return engine
+}
+
+function sizes(groups: { name: string; samples: string[] }[] | undefined): Record<string, number> {
+  return Object.fromEntries((groups ?? []).map(group => [group.name, group.samples.length]))
+}
+
+const experimental = (samples: string[]) => sizes(engineFor(samples).result.value.experimentalGroups)
+const qc = (samples: string[]) => sizes(engineFor(samples).result.value.qcGroups)
+
+function fixture(name: string): string[] {
+  return readFileSync(resolve(__dirname, `../../fixtures/auto-group/${name}.txt`), 'utf-8').trim().split('\n')
+}
+
+const cross = (a: string[], b: string[], c: string[], sep: string): string[] =>
+  a.flatMap(x => b.flatMap(y => c.map(z => [x, y, z].join(sep))))
+
+const liverBatch = [
+  'Ctrl_Liver_D1_Rep1', 'Ctrl_Liver_D1_Rep2',
+  'Treat_Liver_D3_Rep1', 'Treat_Liver_D3_Rep2',
+  'Batch_IQC_Rep1', 'Batch_IQC_Rep2', 'Batch_IQC_Rep3',
+]
+
+const tracingBatch = [
+  'LT_13102025_212_WT_Glu_3_20_S_091123_T1_33', 'LT_13102025_213_WT_Glu_3_20_S_091123_T1_34',
+  'LT_13102025_214_KI_Glu_3_20_S_091123_T1_35', 'LT_13102025_215_KI_Glu_6_40_L_091123_T1_36',
+  'LT_13102025_216_WT_Glu_6_40_L_091123_T1_37', 'LT_13102025_217_WT_Glu_6_40_L_091123_T2_38',
+  'LT_13102025_218_KI_Glu_3_20_S_091123_T2_39', 'LT_13102025_219_KI_Glu_6_40_L_091123_T2_40',
+  'LT_13102025_220_WT_Glu_3_20_S_091123_T2_41', 'LT_13102025_221_WT_Glu_6_40_L_091123_T2_42',
+  'LT_13102025_EQC_Jurkat_1_2', 'LT_13102025_EQC_Jurkat_2_8', 'LT_13102025_IQC_Pool_1_5',
+  'test_EQC_Jurkat_02', 'test_Blank_Run_01',
+]
+
+const twoMatrices = [
+  'Ctrl_Liver_D1_Rep1', 'Ctrl_Liver_D1_Rep2', 'Treat_Liver_D3_Rep1', 'Treat_Liver_D3_Rep2',
+  'QC_Pool', 'Blank', 'ISTD_Mix',
+  'Ctrl_Brain_D1_Rep1', 'Ctrl_Brain_D1_Rep2',
+]
+
+describe('auto-group defaults: replicates', () => {
+  it('should keep a trailing counter out of the group key when it repeats', () => {
+    expect(experimental(cross(['WT', 'KO'], ['Vehicle', 'Drug'], ['1', '2', '3'], '-'))).toEqual({
+      'WT / Vehicle': 3, 'WT / Drug': 3, 'KO / Vehicle': 3, 'KO / Drug': 3,
+    })
+  })
+
+  it('should keep a trailing letter counter out of the group key when it repeats', () => {
+    expect(experimental(cross(['WT', 'KO'], ['Vehicle', 'Drug'], ['A', 'B', 'C'], '_'))).toEqual({
+      'WT / Vehicle': 3, 'WT / Drug': 3, 'KO / Vehicle': 3, 'KO / Drug': 3,
+    })
+  })
+
+  it('should keep sample numbers, replicate tokens and injection numbers out of the group key when a name carries all three', () => {
+    expect(experimental(tracingBatch)).toEqual({
+      'WT / 3 / 20 / S': 3, 'KI / 3 / 20 / S': 2, 'KI / 6 / 40 / L': 2, 'WT / 6 / 40 / L': 3,
+    })
+  })
+
+  it('should report original sample names in metadata when replicates collapse', () => {
+    expect(engineFor(liverBatch).result.value.metadata.map(row => row.sampleName)).toEqual(liverBatch)
+  })
+
+  it('should report original sample names as excluded when a class is excluded', () => {
+    const engine = engineFor(liverBatch)
+    engine.setClassDispositions(c => c.kind === 'iqc', 'exclude')
+    expect(engine.result.value.excludedSamples).toEqual(['Batch_IQC_Rep1', 'Batch_IQC_Rep2', 'Batch_IQC_Rep3'])
+  })
+
+  it('should count each QC replicate as a class member when QC names differ only by replicate', () => {
+    const iqc = engineFor(liverBatch).classes.value.find(c => c.kind === 'iqc')
+    expect(iqc?.members.length).toBe(3)
+  })
+
+  it('should fill each pre-filled template row with the tokens of its own sample when replicates collapse', () => {
+    const { content } = engineFor(liverBatch).composeTemplateForTest({ mode: 'prefilled', format: 'csv' })
+    const row = content.split('\n').find(line => line.startsWith('Treat_Liver_D3_Rep1,'))
+    expect(row).toContain('Treat / D3')
+  })
+})
+
+describe('auto-group defaults: classes', () => {
+  it('should route bare QC and ISTD tokens to overlay classes when a name carries them', () => {
+    expect(Object.keys(qc(twoMatrices)).sort()).toEqual(['Blank', 'IQC', 'Standard'])
+  })
+
+  it('should start each group name with the class layer when the batch has two matrices', () => {
+    expect(experimental(twoMatrices)).toEqual({ 'Liver / Ctrl / D1': 2, 'Liver / Treat / D3': 2, 'Brain': 2 })
+  })
+
+  it('should keep one overlay group when a QC class has two token lengths', () => {
+    expect(qc(tracingBatch)).toEqual({ EQC: 3, IQC: 1, Blank: 1 })
+  })
+
+  it('should not name a column Username when it holds two genotypes', () => {
+    const engine = engineFor(cross(['WT', 'KO'], ['Vehicle', 'Drug'], ['1', '2', '3'], '-'))
+    expect(engine.activeSchema.value?.columns.map(column => column.name)).not.toContain('Username')
+  })
+})
+
+describe('auto-group defaults: tokenizer', () => {
+  const pairs = { WT: 2, KO: 2 }
+
+  it('should drop a file extension when all names share it', () => {
+    expect(experimental(['WT_Ctrl_01.raw', 'WT_Ctrl_02.raw', 'KO_Ctrl_03.raw', 'KO_Ctrl_04.raw'])).toEqual(pairs)
+  })
+
+  it('should split on spaces when no other delimiter is present', () => {
+    expect(experimental(['WT Ctrl 1', 'WT Ctrl 2', 'KO Ctrl 1', 'KO Ctrl 2'])).toEqual(pairs)
+  })
+
+  it('should read one delimiter when it repeats', () => {
+    expect(experimental(['WT__Ctrl_1', 'WT__Ctrl_2', 'KO__Ctrl_1', 'KO__Ctrl_2'])).toEqual(pairs)
+  })
+
+  it('should report the experiment header when all names share it', () => {
+    expect(engineFor(fixture('share-exp031')).experiment.value).toEqual({
+      code: 'exp031', date: '2025-03-18', operator: 'SU',
+    })
+  })
+})
+
+describe('auto-group defaults: lab share batches', () => {
+  it('should group exp031 into 8 conditions when the replicate is a letter', () => {
+    expect(experimental(fixture('share-exp031'))).toEqual({
+      '105 / DMSO': 4, '105 / TFP': 4, '270 / DMSO': 4, '270 / TFP': 4,
+      'SF8628 / DMSO': 4, 'SF8628 / TFP': 4, 'SU-VI / DMSO': 4, 'SU-VI / TFP': 4,
+    })
+  })
+
+  it('should group exp114 by condition when a token holds condition and replicate', () => {
+    expect(experimental(fixture('share-exp114'))['HMW / 2']).toBe(3)
+  })
+
+  it('should group exp214 by stem when a counter is attached to it', () => {
+    expect(experimental(fixture('share-exp214'))['D1 / A']).toBe(3)
+  })
+
+  it('should group exp021 by time point when it has more than five levels', () => {
+    expect(Object.keys(experimental(fixture('share-exp021')))).toContain('inf2 / 1 / 0min')
+  })
+
+  it('should keep the label token B13 as a column when exp021 is parsed', () => {
+    const schemas = Object.values(engineFor(fixture('share-exp021')).schemas.value)
+    expect(schemas.flatMap(schema => schema.columns.flatMap(column => column.uniqueValues))).toContain('B13')
+  })
+
+  it('should read no QC class when the word is in the experiment title that all names share', () => {
+    const names = cross(['WT', 'KO'], ['Vehicle', 'Drug'], ['1', '2', '3'], '_')
+      .map(body => `exp137_250919_AK_betaine_std_HILIC_${body}`)
+    expect(qc(names)).toEqual({})
+  })
+})
+
+describe('auto-group defaults: second review', () => {
+  it('should keep a QC-only batch as one overlay when QC sits where the operator is expected', () => {
+    expect(qc(['exp021_250101_QC_1', 'exp021_250101_QC_2'])).toEqual({ IQC: 2 })
+  })
+
+  it('should keep a QC-only batch as one overlay when all names share the QC token after the header', () => {
+    expect(qc(['exp021_250101_SU_QC_1', 'exp021_250101_SU_QC_2'])).toEqual({ IQC: 2 })
+  })
+
+  it('should group by a bare-number dose when it is the last token of three samples', () => {
+    expect(experimental(['Drug_1', 'Drug_5', 'Drug_10'])).toEqual({ '1': 1, '5': 1, '10': 1 })
+  })
+
+  it('should drop known file extensions when the names carry two different ones', () => {
+    expect(experimental(['WT_Ctrl_1.raw', 'WT_Ctrl_2.mzML', 'KO_Ctrl_1.raw', 'KO_Ctrl_2.mzML'])).toEqual({ WT: 2, KO: 2 })
+  })
+
+  it('should leave a letter counter out of the group key when it sits before an unpadded injection number', () => {
+    const names = cross(['WT', 'KO'], ['A', 'B', 'C'], ['x'], '_').map((name, i) => name.replace('_x', `_${i + 5}`))
+    expect(experimental(names)).toEqual({ WT: 3, KO: 3 })
+  })
+})

package/src/__tests__/composables/autoGroup/groupByOrder.test.ts

@@ -111,7 +111,7 @@ describe('useAutoGroup — field edits span every class exposing the field', ()
 
   it('should reorder the layer in every class when moving a field by name', () => {
     const auto = twoClassEngine()
-    auto.moveGroupByField('Token 3', 'up')
+    auto.moveGroupByField('Field 3', 'up')
     expect(Object.values(auto.schemas.value).map(s => s.groupBy)).toEqual([[2, 1], [2, 1]])
   })
 
@@ -120,7 +120,7 @@ describe('useAutoGroup — field edits span every class exposing the field', ()
     const activeKey = auto.activeClassKey.value
     auto.toggleGroupBy(activeKey, 2)
 
-    auto.moveGroupByField('Token 3', 'up')
+    auto.moveGroupByField('Field 3', 'up')
 
     expect(Object.values(auto.schemas.value).map(schema => schema.groupBy)).toEqual([[1], [2, 1]])
   })
@@ -131,7 +131,7 @@ describe('useAutoGroup — field edits span every class exposing the field', ()
     auto.moveGroupBy(inactiveKey, 3, 'up')
     auto.moveGroupBy(inactiveKey, 3, 'up')
 
-    auto.moveGroupByField('Token 4', 'up')
+    auto.moveGroupByField('Field 4', 'up')
 
     expect(Object.values(auto.schemas.value).map(schema => schema.groupBy)).toEqual([
       [1, 3, 2],
@@ -162,14 +162,14 @@ describe('useAutoGroup — field edits span every class exposing the field', ()
       },
     }
 
-    auto.moveGroupByField('Token 4', 'up')
+    auto.moveGroupByField('Field 4', 'up')
 
     expect(auto.schemas.value[inactiveKey].groupBy).toEqual([1, 3, 2, 99])
   })
 
   it('should compose consistently ordered names across classes after a field move', () => {
     const auto = twoClassEngine()
-    auto.moveGroupByField('Token 3', 'up')
+    auto.moveGroupByField('Field 3', 'up')
     expect(auto.groups.value.map(g => g.name).sort()).toEqual([
       'Kidney / High / 10min',
       'Kidney / High / 5min',
@@ -218,8 +218,8 @@ describe('useAutoGroup — field edits span every class exposing the field', ()
       },
     }
 
-    auto.toggleGroupByField('Token 3')
-    auto.toggleGroupByField('Token 3')
+    auto.toggleGroupByField('Field 3')
+    auto.toggleGroupByField('Field 3')
 
     expect(Object.values(auto.schemas.value).map(schema => schema.groupBy)).toEqual([[1], [1, 2]])
   })

package/src/__tests__/composables/autoGroup/tokenLength.test.ts

@@ -83,3 +83,10 @@ describe('splitByTokenLength', () => {
     expect(out.map(c => c.label)).toEqual(['Unknown', 'Biological / Plasma'])
   })
 })
+
+describe('splitByTokenLength for QC-kind classes', () => {
+  it('should keep a QC-kind class whole when its members have two token lengths', () => {
+    const iqc = cls({ kind: 'iqc', label: 'IQC', subKind: undefined, members: [0, 1] })
+    expect(splitByTokenLength([iqc], [['IQC', '1'], ['x', 'IQC', '2']])).toHaveLength(1)
+  })
+})

package/src/__tests__/composables/autoGroup/tokenize.test.ts

@@ -1,5 +1,5 @@
 import { describe, it, expect } from 'vitest'
-import { splitMulti, pickPrimaryDelimiter } from '../../../composables/autoGroup/tokenize'
+import { splitMulti, pickPrimaryDelimiter, parseDateToken, tokenizeBatch } from '../../../composables/autoGroup/tokenize'
 
 describe('pickPrimaryDelimiter', () => {
   it('should pick underscore when underscore field counts are most consistent', () => {
@@ -31,3 +31,80 @@ describe('splitMulti', () => {
     expect(splitMulti('', '_')).toEqual([''])
   })
 })
+
+describe('parseDateToken', () => {
+  it('should read the date when the token is YYMMDD', () => {
+    expect(parseDateToken('250919')).toBe('2025-09-19')
+  })
+
+  it('should read the date when the token is YYYYMMDD', () => {
+    expect(parseDateToken('20250211')).toBe('2025-02-11')
+  })
+
+  it('should read DDMMYYYY when the first four digits are not a year', () => {
+    expect(parseDateToken('13102025')).toBe('2025-10-13')
+  })
+
+  it('should read DDMMYY when the year-first reading is outside the plausible window', () => {
+    expect(parseDateToken('091123')).toBe('2023-11-09')
+  })
+
+  it('should return undefined when the token is not a date', () => {
+    expect(parseDateToken('999999')).toBeUndefined()
+  })
+})
+
+describe('tokenizeBatch', () => {
+  it('should move the header out of the rows when all names share it', () => {
+    const batch = tokenizeBatch(['exp031_250318_SU_105_DMSO_A_23', 'exp031_250318_SU_270_TFP_B_09'])
+    expect(batch.rows).toEqual([['105', 'DMSO', 'A', '23'], ['270', 'TFP', 'B', '09']])
+  })
+
+  it('should read the header when the operator is before the date', () => {
+    const batch = tokenizeBatch(['exp157_LT_13102025_214_KI_13', 'exp157_LT_13102025_215_WT_35'])
+    expect(batch.experiment).toEqual({ code: 'exp157', date: '2025-10-13', operator: 'LT' })
+  })
+
+  it('should keep a header field in the row when the batch has two values', () => {
+    const batch = tokenizeBatch(['exp280_260413_YS_Plasma_M10_031', 'exp281_260413_YS_Tissues_M10_085'])
+    expect(batch.rows[0]).toEqual(['exp280', 'Plasma', 'M10', '031'])
+  })
+
+  it('should read no header when a name has no experiment code and no date', () => {
+    expect(tokenizeBatch(['WT_Ctrl_1', 'KO_Ctrl_2']).rows[0]).toEqual(['WT', 'Ctrl', '1'])
+  })
+
+  it('should drop the last token when it is a 14-digit acquisition stamp', () => {
+    const batch = tokenizeBatch(['WT_blank_011_20251003200301', 'KO_blank_012'])
+    expect(batch.rows[0]).toEqual(['WT', 'blank', '011'])
+  })
+
+  it('should count the shared tokens when all names share a title after the header', () => {
+    const batch = tokenizeBatch(['exp114_250730_YY_HEK_Put_HMW_1-1_35', 'exp114_250730_YY_HEK_Put_MMW_2-1_36'])
+    expect(batch.sharedPrefix).toBe(2)
+  })
+
+  it('should keep a decimal point inside a token when the delimiter is an underscore', () => {
+    expect(tokenizeBatch(['exp_drugA_0.1uM', 'exp_drugB_1uM']).rows[0]).toEqual(['exp', 'drugA', '0.1uM'])
+  })
+})
+
+describe('tokenizeBatch review regressions', () => {
+  it('should keep a caps token in the row when only some names carry it after the date', () => {
+    const batch = tokenizeBatch(['exp021_250101_QC_1', 'exp021_250101_QC_2', 'exp021_250101_Ctrl_1', 'exp021_250101_Ctrl_2'])
+    expect(batch.rows[0]).toEqual(['QC', '1'])
+  })
+
+  it('should keep rows aligned when one genotype looks like operator initials', () => {
+    const batch = tokenizeBatch(['exp021_250101_WT_1', 'exp021_250101_WT_2', 'exp021_250101_Het_1', 'exp021_250101_Het_2'])
+    expect(batch.rows.map(row => row.length)).toEqual([2, 2, 2, 2])
+  })
+
+  it('should count no shared prefix when the names have no experiment header', () => {
+    expect(tokenizeBatch(['QC_01', 'QC_02', 'QC_03']).sharedPrefix).toBe(0)
+  })
+
+  it('should reject a date that is not in the calendar when the token has six digits', () => {
+    expect(parseDateToken('250231')).toBeUndefined()
+  })
+})

package/src/__tests__/composables/useAutoGroup.test.ts

@@ -346,8 +346,9 @@ describe('useAutoGroup auto-disable degenerate columns', () => {
     ].join('\n')
     auto.parseInput()
 
+    // Replicate columns are visible fields too, but they are off by default.
     const goodCols = auto.fields.value.filter(
-      f => f.cardinality > 1 && f.cardinality < auto.samples.value.length,
+      f => f.role !== 'replicate' && f.cardinality > 1 && f.cardinality < auto.samples.value.length,
     )
     for (const col of goodCols) {
       expect(auto.enabledFields.value.has(col.index)).toBe(true)

package/src/__tests__/fixtures/auto-group/share-exp021.txt

@@ -0,0 +1,103 @@
+exp021_20250305_AK_blank_001
+exp021_20250305_AK_blank_005
+exp021_20250305_AK_blank_009
+exp021_20250305_AK_blank_013
+exp021_20250305_AK_blank_017
+exp021_20250305_AK_blank_021
+exp021_20250305_AK_blank_025
+exp021_20250305_AK_blank_029
+exp021_20250305_AK_blank_033
+exp021_20250305_AK_blank_037
+exp021_20250305_AK_blank_041
+exp021_20250305_AK_blank_045
+exp021_20250305_AK_blank_049
+exp021_20250305_AK_blank_053
+exp021_20250305_AK_blank_057
+exp021_20250305_AK_blank_061
+exp021_20250305_AK_blank_065
+exp021_20250305_AK_blank_066
+exp021_20250305_AK_ksEx5_inf2_B13_1_0min_022
+exp021_20250305_AK_ksEx5_inf2_B13_1_120min_052
+exp021_20250305_AK_ksEx5_inf2_B13_1_20min_042
+exp021_20250305_AK_ksEx5_inf2_B13_1_240min_015
+exp021_20250305_AK_ksEx5_inf2_B13_1_360min_031
+exp021_20250305_AK_ksEx5_inf2_B13_1_40min_059
+exp021_20250305_AK_ksEx5_inf2_B13_2_0min_050
+exp021_20250305_AK_ksEx5_inf2_B13_2_120min_016
+exp021_20250305_AK_ksEx5_inf2_B13_2_20min_006
+exp021_20250305_AK_ksEx5_inf2_B13_2_240min_035
+exp021_20250305_AK_ksEx5_inf2_B13_2_360min_038
+exp021_20250305_AK_ksEx5_inf2_B13_2_40min_055
+exp021_20250305_AK_ksEx5_inf2_B13_6_0min_036
+exp021_20250305_AK_ksEx5_inf2_B13_6_120min_002
+exp021_20250305_AK_ksEx5_inf2_B13_6_20min_034
+exp021_20250305_AK_ksEx5_inf2_B13_6_240min_039
+exp021_20250305_AK_ksEx5_inf2_B13_6_360min_010
+exp021_20250305_AK_ksEx5_inf2_B13_6_40min_043
+exp021_20250305_AK_ksEx5_inf2_B13_7_0min_062
+exp021_20250305_AK_ksEx5_inf2_B13_7_120min_028
+exp021_20250305_AK_ksEx5_inf2_B13_7_20min_058
+exp021_20250305_AK_ksEx5_inf2_B13_7_240min_018
+exp021_20250305_AK_ksEx5_inf2_B13_7_360min_026
+exp021_20250305_AK_ksEx5_inf2_B13_7_40min_060
+exp021_20250305_AK_ksEx5_inf3_B13_1_0min_019
+exp021_20250305_AK_ksEx5_inf3_B13_1_120min_032
+exp021_20250305_AK_ksEx5_inf3_B13_1_20min_064
+exp021_20250305_AK_ksEx5_inf3_B13_1_240min_024
+exp021_20250305_AK_ksEx5_inf3_B13_1_360min_014
+exp021_20250305_AK_ksEx5_inf3_B13_1_40min_040
+exp021_20250305_AK_ksEx5_inf3_B13_2_0min_063
+exp021_20250305_AK_ksEx5_inf3_B13_2_120min_012
+exp021_20250305_AK_ksEx5_inf3_B13_2_20min_047
+exp021_20250305_AK_ksEx5_inf3_B13_2_240min_007
+exp021_20250305_AK_ksEx5_inf3_B13_2_360min_023
+exp021_20250305_AK_ksEx5_inf3_B13_2_40min_003
+exp021_20250305_AK_ksEx5_inf3_B13_6_0min_004
+exp021_20250305_AK_ksEx5_inf3_B13_6_120min_044
+exp021_20250305_AK_ksEx5_inf3_B13_6_20min_030
+exp021_20250305_AK_ksEx5_inf3_B13_6_240min_048
+exp021_20250305_AK_ksEx5_inf3_B13_6_360min_011
+exp021_20250305_AK_ksEx5_inf3_B13_6_40min_054
+exp021_20250305_AK_ksEx5_inf3_B13_7_0min_046
+exp021_20250305_AK_ksEx5_inf3_B13_7_120min_020
+exp021_20250305_AK_ksEx5_inf3_B13_7_20min_056
+exp021_20250305_AK_ksEx5_inf3_B13_7_240min_008
+exp021_20250305_AK_ksEx5_inf3_B13_7_360min_051
+exp021_20250305_AK_ksEx5_inf3_B13_7_40min_027
+ksEx5_inf2_B13_1_120min
+ksEx5_inf2_S13_8_120min
+ksEx5_inf2_S13_8_120min__MS1_AGC100_70-1000_02
+ksEx5_inf2_S13_8_120min_MS1_AGC100_70-500_03
+ksEx5_inf2_S13_8_120min_MS1_AGC100_70-500_shape_g_04
+ksEx5_inf2_S13_8_120min_MS1_AGC100_70-500_stead_g_05
+ksEx7a_Betaine_10nM_std_in_442
+ksEx7a_Betaine_Valine_Mix_10nM_std_in_442
+ksEx7a_Blank_442
+ksEx7a_FullLabBetaine_10nM_std_in_442
+ksEx7a_FullLabBetaine_Valine_Mix_10nM_std_in_442
+ksEx7a_Valine_10nM_std_in_442
+ksEx7b_Betaine_10nM_std_in_442_MS1_AGC100_70-1000_02
+ksEx7b_Betaine_10nM_std_in_442_MS1_AGC100_70-500_03
+ksEx7b_Betaine_10nM_std_in_442_MS1_AGC100_70-500_shape_g_04
+ksEx7b_Betaine_10nM_std_in_442_MS1_AGC100_70-500_stead_g_05
+ksEx7b_Betaine_Valine_Mix_10nM_std_in_442__MS1_AGC100_70-1000_02
+ksEx7b_Betaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_03
+ksEx7b_Betaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_shape_g_04
+ksEx7b_Betaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_stead_g_05
+ksEx7b_Blank_442_02
+ksEx7b_Blank_442_03
+ksEx7b_Blank_442_04
+ksEx7b_Blank_442_05
+ksEx7b_Blank_442_06
+ksEx7b_FullLabBetaine_10nM_std_in_442__MS1_AGC100_70-1000_02
+ksEx7b_FullLabBetaine_10nM_std_in_442_MS1_AGC100_70-500_03
+ksEx7b_FullLabBetaine_10nM_std_in_442_MS1_AGC100_70-500_shape_g_04
+ksEx7b_FullLabBetaine_10nM_std_in_442_MS1_AGC100_70-500_stead_g_05
+ksEx7b_FullLabBetaine_Valine_Mix_10nM_std_in_442__MS1_AGC100_70-1000_02
+ksEx7b_FullLabBetaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_03
+ksEx7b_FullLabBetaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_shape_g_04
+ksEx7b_FullLabBetaine_Valine_Mix_10nM_std_in_442_MS1_AGC100_70-500_stead_g_05
+ksEx7b_Valine_10nM_std_in_442__MS1_AGC100_70-1000_02
+ksEx7b_Valine_10nM_std_in_442_MS1_AGC100_70-500_03
+ksEx7b_Valine_10nM_std_in_442_MS1_AGC100_70-500_shape_g_04
+ksEx7b_Valine_10nM_std_in_442_MS1_AGC100_70-500_stead_g_05

package/src/__tests__/fixtures/auto-group/share-exp031.txt

@@ -0,0 +1,39 @@
+exp031_250318_SU_105_media_DMSO_72_A_23
+exp031_250318_SU_105_media_DMSO_72_B_17
+exp031_250318_SU_105_media_DMSO_72_C_33
+exp031_250318_SU_105_media_DMSO_72_D_02
+exp031_250318_SU_105_media_TFP_72_A_20
+exp031_250318_SU_105_media_TFP_72_B_34
+exp031_250318_SU_105_media_TFP_72_C_30
+exp031_250318_SU_105_media_TFP_72_D_18
+exp031_250318_SU_270_media_DMSO_72_A_35
+exp031_250318_SU_270_media_DMSO_72_B_11
+exp031_250318_SU_270_media_DMSO_72_C_05
+exp031_250318_SU_270_media_DMSO_72_D_37
+exp031_250318_SU_270_media_TFP_72_A_09
+exp031_250318_SU_270_media_TFP_72_B_31
+exp031_250318_SU_270_media_TFP_72_C_13
+exp031_250318_SU_270_media_TFP_72_D_21
+exp031_250318_SU_blank_01
+exp031_250318_SU_blank_06
+exp031_250318_SU_blank_10
+exp031_250318_SU_blank_12
+exp031_250318_SU_blank_24
+exp031_250318_SU_blank_32
+exp031_250318_SU_blank_39
+exp031_250318_SU_SF8628_media_DMSO_72_A_16
+exp031_250318_SU_SF8628_media_DMSO_72_B_03
+exp031_250318_SU_SF8628_media_DMSO_72_C_14
+exp031_250318_SU_SF8628_media_DMSO_72_D_19
+exp031_250318_SU_SF8628_media_TFP_72_A_28
+exp031_250318_SU_SF8628_media_TFP_72_B_38
+exp031_250318_SU_SF8628_media_TFP_72_C_08
+exp031_250318_SU_SF8628_media_TFP_72_D_36
+exp031_250318_SU_SU-VI_media_DMSO_72_A_26
+exp031_250318_SU_SU-VI_media_DMSO_72_B_27
+exp031_250318_SU_SU-VI_media_DMSO_72_C_29
+exp031_250318_SU_SU-VI_media_DMSO_72_D_15
+exp031_250318_SU_SU-VI_media_TFP_72_A_22
+exp031_250318_SU_SU-VI_media_TFP_72_B_07
+exp031_250318_SU_SU-VI_media_TFP_72_C_25
+exp031_250318_SU_SU-VI_media_TFP_72_D_04