Post-Processing Tools for GC-MS Volatile Organic Compound Data


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Documentation for package ‘postvocs’ version 0.2.5

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annotate_compounds Annotate CAS numbers with chemical information
batch_process_gcms Batch process GC-MS TXT files in a directory with sample name mapping
build_cas_abundance Build a CAS × Sample abundance matrix from extracted peak areas
extract_peak_areas Extract CAS and total peak areas from GC-MS results
filter_by_frequency Filter compounds by occurrence frequency across samples and treatment groups
process_gcms_txt Parse a single GC-MS exported TXT file
save_gcms_results Save GC-MS parsing results to CSV or Excel files
save_postvocs_results Save postvocs results to CSV or Excel files