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Topics - utpal_bose

1
XCMS / out of retention time range for this sample
HI All,

Can someone help me with this error.  I think I need to tweak the retention time in the Script...am i right if so how can i do that.

I am targeting peeks between 1m and 75 m for my work and i have getting this issue ...any suggestion please.



1: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H069.mzdata.xml), using zero intensity value.

2: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H072.mzdata.xml), using zero intensity value.

3: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H074.mzdata.xml), using zero intensity value.

4: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H079.mzdata.xml), using zero intensity value.

5: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H080.mzdata.xml), using zero intensity value.

6: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H081.mzdata.xml), using zero intensity value.

7: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H082.mzdata.xml), using zero intensity value.

8: In .local(object, ...) :
  getPeaks: Peak  m/z:453.743311482323-453.847218882211,  RT:4486.392-4502.802is out of retention time range for this sample (C:/MZdataXCMS/SA/2010_12_12 H083.mzdata.xml), using zero intensity value.


Thanks in advance
2
XCMS / Data upload and processing with XCMS
Hello,
I'm unfamiliar with R and have had little success getting what I'm looking for from XCMS.
My goal is to obtain a data matrix of aligned (untargeted) components and retention times, with the data made up of peaks areas.  The data is from an Agilent LC-QTOF instrument. I have transferred the data files into mzData format and saved it in the same directory where R is installed.  My first problem is
- I could not able to upload data files for analysis. It always comes with a error message.

Does anyone happen to have a set of example command lines they can copy and paste to me to complete a LC/MS data analysis obtained from LCMS system?

Thanks in advance for your help!
Utpal