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1227450726
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@1227450726-24057
Last seen 4.2 years ago
require(xcms)
require(x13cms)
# set working directory
getwd()
setwd('E:/Example/')
# Peak-picking and retention-time alignment with XCMS
xs= xcmsSet(c('./C12', './C13'),
method= 'centWave',
ppm= 20,
peakwidth= c(20, 200))
Error in xcmsSet(c("./C12", "./C13"), method = "centWave", ppm = 20, peakwidth = c(20, :
Chromatographic peak detection failed for all files! The first error was: Error in mzR::openMSfile(x, backend = backend): Unable to create valid cRamp object.
此外: Warning messages:
1: In serialize(data, node$con) : 载入时'package:stats'可能无用
xcms
usesmzR
to read data from MassSpec data files. The error message indicates thatmzR
is not able to read one or more of the files in the folders you specified. This could be either because there are also other files (not only mass spec files) in these directories or that these have a wrong format or a format whichmzR
does not support.In addition, I would strongly suggest to change from the old user interface functions (
xcmsSet
and alike) to the new functions that make use of theMSnbase
package to represent the mass spec data. With that it would also much easier to tackle such problems because you first read the data files and can specify which files you actually want to read.cheers, jo