diff --git a/massql/msql_extract.py b/massql/msql_extract.py index 0b22b7f..155806b 100644 --- a/massql/msql_extract.py +++ b/massql/msql_extract.py @@ -18,6 +18,9 @@ def main(): parser.add_argument('extracted_mzML', help='extracted_mgf') parser.add_argument('extracted_result', help='extracted_mgf') + # Parameter for maximum extracted scans + parser.add_argument('--max_extracted_scans', help='max_extracted_scans', default=10000, type=int) + args = parser.parse_args() if os.path.isdir(args.results_file): @@ -248,7 +251,7 @@ def _extract_spectra(results_df, input_spectra_folder, if output_summary is not None: merged_summary_df.to_csv(output_summary, sep='\t', index=False) - if len(spectrum_list) > 10000: + if len(spectrum_list) > arg.max_extracted_scans: print("Not Extracting, too many spectra") return None diff --git a/workflow/GNPS2_DeploymentTooling b/workflow/GNPS2_DeploymentTooling index a92a048..f7484dd 160000 --- a/workflow/GNPS2_DeploymentTooling +++ b/workflow/GNPS2_DeploymentTooling @@ -1 +1 @@ -Subproject commit a92a0488cd8032ad1274b58c01d6aed47fc7c7c6 +Subproject commit f7484dded5161386561dbd61e189357792875eb3