/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