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Possible bug in findIsotopesWithValidation
#56
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Hi, thanks for reporting. I might vaguely recall that NA indeed causes issues, |
Hi Steffen,
I am investigating FTMS data which inherently might have empty scan regions where So I am between a rock and a hard place now: run Setting EDIT: I just realized that I had set |
Running
findIsotopesWithValidation
on axsAnnotate
object it throws the error:Fehler in if (!isotopeProportionFits) { : Fehlender Wert, wo TRUE/FALSE nötig ist
(sorry German locale :-))
I believe the reason is that object@xcmsSet@peaks contains NAs in the
sn
column. This leads tosnValues
of NA which subsequently in functionfindIsotopesForPS
causesisotopeProportionFits
to be assigned a NA instead of a TRUE/FALSE.A solution could be to set
na.rm=TRUE
for themedian
which calculatessnValues
for the different groups. Just like it is done for the calculation ofintValues
.Cheers
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