/Users/priya/Desktop/protocode/testdata/aMCA_1-10.mzXML /Users/priya/Desktop/protocode/testdata/bMCA_1-10.mzXML /Users/priya/Desktop/protocode/testdata/CA_1-10.mzXML /Users/priya/Desktop/protocode/testdata/CLA_1-2.mzXML /Users/priya/Desktop/protocode/testdata/Ellaidic_acid_1-2.mzXML /Users/priya/Desktop/protocode/testdata/END_1-10.mzXML /Users/priya/Desktop/protocode/testdata/ENL_1-10.mzXML /Users/priya/Desktop/protocode/testdata/LA_1-2.mzXML /Users/priya/Desktop/protocode/testdata/Oleic_1-10.mzXML /Users/priya/Desktop/protocode/testdata/Phytomonic_1-10.mzXML 1 200000.0 masses 2 1000.0 masses 1 masses 0.05 1000000.0 1.0E-4 10.0 chromatograms deconvoluted 6000.0 0.02 3.0 2000.0 0.0 10.0 0.0 10.0 0.01 0.01 0.01 1000000.0 3.0 0.05 1.0 10.0 0.25 5.0 0.0 10.0 Use smoothed data RCaller 10.0 3.0 true 10.0 110.0 0.0 10.0 0.001 0.1 0.001 0.1 true deisotoped 1.0E-4 15.0 0.05 false 3 Most intense true Aligned 1.0E-4 10.0 75.0 0.05 25.0 false false 0.001 5.0 gap-filled 0.1 1.0E-4 15.0 0.1 false false filtered_3_2 3.0 2 0.0 10.0 0.0 1.0 No parameters defined false Keep rows that match all criteria false false false filtered 1.0E-4 5.0 0.05 false false filtered_MS2 0.0 10.0 0.0 1.0 No parameters defined false Keep rows that match all criteria true true false /Users/priya/Desktop/test.csv , Export row ID Export row m/z Export row retention time Peak area false ; /Users/priya/Desktop/test_gnps.mgf masses /Users/priya/Desktop/test_sirius.mgf Merge consecutive scans masses