Description Usage Arguments Author(s) Examples
TargetMsMsProcessing
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msms_file |
mzXML file format |
root_path |
Default: '.' |
polarity |
'positive', 'negative'. If it is not given (NULL), it would be extracted from msms_file name. Default: NULL |
adduct |
If it is not given (NULL), it would be extracted from msms_file name. Default: NULL |
concentration |
If it is not given (NULL), it would be extracted from msms_file name. Default: NULL |
mode |
SPMCE: single precursor with multiple CEs; MPSCE: multiple precursors, but single CE for each precursor; SPSCE: single precursor with one CE; |
ce_levels |
collison energy. Default: c("CE10", "CE20", "CE40") |
Zhiwei Zhou
1 2 3 4 5 | setwd('F:/01 MetIMMS/00 data processing/190702 extract msms spectra from targeted 6560 data/convert_msms')
# Standard
TargetMsMsProcessing(msms_file = "L0656_H_pos_10ppm.mzXML", root_path = '..', mode = 'SPMCE', ce_levels = c("CE10", "CE20", "CE40"))
# QC
TargetMsMsProcessing(msms_file = "QC00.mzXML", root_path = '..', polarity = 'Positive', adduct = '[M+H]+', concentration = '10ppm',mode = 'MPMCE', ce_levels = c("CE20", "CE40"))
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