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Documentation: Update LCMS docs
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Juan Puerto committed Sep 17, 2024
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<br>

## Directory schemas
<summary><b>Version 2.0 (use this one)</b></summary>
<summary><b>Version 2.2 (use this one)</b></summary>

| pattern | required? | description |
| --- | --- | --- |
| <code>extras\/.*</code> || Folder for general lab-specific files related to the dataset. |
| <code>extras\/mass-spec_environment\.(?:json&#124;tsv)</code> | | JSON or TSV file containing the machine parameters/settings. This is akin to the microscope_environment.json file that's used to describe the imaging equipment. |
| <code>raw\/.*</code> || Raw data files for the experiment. |
| <code>raw\/[^\/]+\.raw</code> (example: <code>raw/20200707_rmi049_75umPLRPS_Kidney_GF10pc_VAN0003LK32_biorep05_techrep02.raw</code>) || Raw mass spectrometry data from an assay of LC-MS, MS, LC-MS Bottom-Up, MS Bottom-Up, LC-MS Top-Down, or MS Top-Down that describes an analyte class of protein, metabolites, lipids, peptides, phosphopeptides, or glycans. |
| <code>raw\/[^\/]+\.(?:mzML&#124;d)</code> || Raw mass spectrometry data from an assay of LC-MS, MS, LC-MS Bottom-Up, MS Bottom-Up, LC-MS Top-Down, or MS Top-Down that describes an analyte class of protein, metabolites, lipids, peptides, phosphopeptides, or glycans. |
| <code>lab_processed\/.*</code> | | Lab processed files |
| <code>lab_processed\/ID_search_results\/.*</code> | | Identification results. |
| <code>lab_processed\/ID_search_results\/[^\/]+\.csv</code> | | Annotated data describing (qualitative or quantitative) the proteins, metabolites, lipids, peptides, phosphopeptides, or glycans identified from the corresponding raw data. In the case of MS1 this file should include a list of features. |
| <code>lab_processed\/ID_metadata\/.*</code> | | Identification search parameters/metadata. |
| <code>lab_processed\/ID_metadata\/[^\/]+\.csv</code> | | Software settings used during the analyte identification process (e.g., from MaxQuant or Proteome Discoverer). |
| <code>lab_processed\/QC_results\/.*</code> | | Output file resulting from QC analysis. |
| <code>lab_processed\/QC_results\/[^\/]+\.txt</code> | | A list of metrics with the score of the current dataset that shows the quality of data collection. |

<summary><b>Version 2.0</b></summary>

| pattern | required? | description |
| --- | --- | --- |
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