--- a +++ b/eda/EAT/Readme.md @@ -0,0 +1,58 @@ +# .R code for GC Metabolomics and LC-MS/MS Proteomics + +### GC_metabolomics_heatmap.R + +**description**: + 1. Load data from SQLlite data base (Metabolomics normalized measurements, deidentified patient meta data, and metabolite class meta) + 2. Data formatting from long to wide format + 3. Meta formattting to pad all single digit patient id's with a zero + 4. Generate heatmap with annotations (177 metabolites) for Controls, NONCOVID, and COVID patients + 5. Remove Controls + 6. Exploratory figures for COVID and NONCOVID metabolomics + 7. Fold Changes to median NONCOVID + 8. Filter features witth fold changer greater than 4.2 in at least one patient + +**Relevant Issue(s)**: Unsupervised analysis #3 +**date created**: 5/26/20 +**date last modified**: 5/26/20 +**input**: + - sqlite_db: data/SQLite Database/Covid-19 Study DB.sqlite + +**output**: + - NA + +### Proteomics_heatmap.R + +**description**: + 1. Load data from SQLlite data base (Proteomics normalized measurements, deidentified patient meta data, and proteomics meta) + 2. Data formatting from long to wide format + 3. Meta formattting to pad all single digit patient id's with a zero + 4. Fix raw file names for HC and pooled plasma. + 5. Generate heatmap with annotations (517 proteins) for Human Controls (HC), pooled plasma, NONCOVID, and COVID patients + 6. Remove HC and pooled plasma samples + 7. Exploratory figures for COVID and NONCOVID proteomics + 8. Fold Changes to median NONCOVID + 9. Fold Changes to median NONCOVID not in the ICU + +**Relevant Issue(s)**: Unsupervised analysis #3 +**date created**: 5/27/20 +**date last modified**: 5/27/20 +**input**: + - sqlite_db: data/SQLite Database/Covid-19 Study DB.sqlite + +**output**: + - NA + +### Protein_peptide_90minSingleShot_COVID_CoagulationCascade.R + +description: Generates csv's for each protein in MaxQuant proteingroups.csv, where each csv contains the peptide measured in MS/MS analysis for that specific protein. +Relevant Issue(s): NA +date created: 5/26/20 +date last modified: 5/26/20 +**input**: + - protein groups csv: P:/All_20200428_COVID_plasma_multiomics/Proteomics/90 min single-shot reps for Anji/combined_includingIsoforms_Deane_coagulationPathway/txt/peptides_Plasma_90SingleShot.csv + - peptides csv: P:/All_20200428_COVID_plasma_multiomics/Proteomics/90 min single-shot reps for Anji/combined_includingIsoforms_Deane_coagulationPathway/txt/peptides_Plasma_90SingleShot.csv + - Uniprot gene csv: P:/All_20200428_COVID_plasma_multiomics/Proteomics/90 min single-shot reps for Anji/UniprotDatabase_CoagulationCascade_List.csv + +**output**: + - peptide csv for each gene: All_20200428_COVID_plasma_multiomics/Proteomics/90 min single-shot reps for Anji/CoagulationCascade_peptide_data/