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Problem with grpids #5

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jsaintvanne opened this issue Oct 15, 2019 · 0 comments
Open

Problem with grpids #5

jsaintvanne opened this issue Oct 15, 2019 · 0 comments
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@jsaintvanne
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Because of the choice to have peaks and groups from only the class of our MSMS file, the grpids value fixed during the frag4feature function is not the same for peaks of the same groups between MSMS files of differents classes... For example in msPurity version I obtain these 3 peaks :

"grpid" | "fileid" | "filename" | "cl" | "mz" | "i" | "snr" | "rsd" | "count" | "total" | "inPurity" | "ra" | "frac" | "snr_pass_flag" | "minnum_pass_flag" | "minfrac_pass_flag" | "ra_pass_flag" | "pass_flag" | "method" | "avid"
"13" | "3" | "LCMSMS_1_short.mzML" | 1 | 115.052673339844 | 2035.63000488281 | 1 | NA | 1 | 1 | 1 | 100 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 1
"13" | "4" | "LCMSMS_2_short.mzML" | 1 | 107.888023376465 | 1868.77038574219 | 1.04082997343869 | NA | 1 | 1 | 1 | 100 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 2
"13" | "4" | "LCMSMS_2_short.mzML" | 2 | 109.517402648926 | 1722.15307617188 | 0.959170026561312 | NA | 1 | 1 | 1 | 92.1543432682297 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 3

Whereas in my W4M_f4f I obtain these three :

"grpid" | "fileid" | "filename" | "cl" | "mz" | "i" | "snr" | "rsd" | "count" | "total" | "inPurity" | "ra" | "frac" | "snr_pass_flag" | "minnum_pass_flag" | "minfrac_pass_flag" | "ra_pass_flag" | "pass_flag" | "method" | "avid"
"13" | "3" | "LCMSMS_1_short.mzML" | 1 | 115.052673339844 | 2035.63000488281 | 1 | NA | 1 | 1 | 1 | 100 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 1
"11" | "4" | "LCMSMS_2_short.mzML" | 1 | 107.888023376465 | 1868.77038574219 | 1.04082997343869 | NA | 1 | 1 | 1 | 100 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 3525
"11" | "4" | "LCMSMS_2_short.mzML" | 2 | 109.517402648926 | 1722.15307617188 | 0.959170026561312 | NA | 1 | 1 | 1 | 92.1543432682297 | 1 | TRUE | TRUE | TRUE | TRUE | TRUE | "intra" | 3526

It's the same peaks but the grpids value changed for the second file because there is 2 less groups before the 13th in class2... Is it a good way or not?

@jsaintvanne jsaintvanne added the question Further information is requested label Oct 15, 2019
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