Metabolomics Society Forum

Software => R => XCMS => Topic started by: Ricca on December 30, 2011, 03:21:37 AM

Title: fillPeaks ERROR
Post by: Ricca on December 30, 2011, 03:21:37 AM
Hi to all and good year!
I have had a problem running fillPeaks.
Controllo10 Error in checkSlotAssignment(object, name, value) : "scantime" is not a slot in class “NULL”

This are the settings I use:
Code: [Select]
xset <- xcmsSet(files, method="centWave", nSlaves=4, polarity="positive", ppm=5)
xset <- group(xset, bw=30, mzwid=0.025, minfrac=0.5, minsamp=10)
xset.retcor <- retcor(xset, method="obiwarp", profStep=0.1, distFunc= "cov", plottype="deviation")
xset.retcor <- group(xset.retcor, bw=10, mzwid=0.025, minfrac=0.5, minsamp=10)
xset.finale <- fillPeaks(xset.retcor)

My data set is made up of 60 negative control and 15 positive control. Is correct to use minsamp=10 that is 2/3 of the positive control? My data were aquired with Agilent LC/qTOF.

Best
Title: Re: fillPeaks ERROR
Post by: Ralf on December 30, 2011, 01:10:45 PM
please read before posting! (http://http://www.metabolomics-forum.com/viewtopic.php?f=8&t=73)

We need at least
sessionInfo()
and
traceback()
Title: Re: fillPeaks ERROR
Post by: Ricca on January 03, 2012, 02:51:18 AM
Quote
please read before posting!
:oops:

The error is:

xsetF <- fillPeaks(xsetR)
Controllo10 Error in checkSlotAssignment(object, name, value) : "scantime" is not a slot in class “NULL”


Furthemore:

> sessionInfo()
R version 2.14.1 (2011-12-22)
Platform: x86_64-pc-linux-gnu (64-bit)

locale:
 [1] LC_CTYPE=en_US.utf8      LC_NUMERIC=C           
 [3] LC_TIME=en_US.utf8        LC_COLLATE=en_US.utf8   
 [5] LC_MONETARY=en_US.utf8    LC_MESSAGES=en_US.utf8 
 [7] LC_PAPER=C                LC_NAME=C               
 [9] LC_ADDRESS=C              LC_TELEPHONE=C         
[11] LC_MEASUREMENT=en_US.utf8 LC_IDENTIFICATION=C     

attached base packages:
[1] grid      stats    graphics  grDevices utils    datasets  methods 
[8] base   

other attached packages:
 [1] ROCR_1.0-4        gplots_2.10.1      KernSmooth_2.23-7  caTools_1.12     
 [5] bitops_1.0-4.1    gdata_2.8.2        gtools_2.6.2      boot_1.3-3       
 [9] chemometrics_1.3.7 som_0.3-5          robustbase_0.7-8  rpart_3.1-50     
[13] pls_2.2-0          pcaPP_1.9-44      mvtnorm_0.9-9991  nnet_7.3-1       
[17] mclust_3.4.10      MASS_7.3-16        lars_0.9-8        gclus_1.3       
[21] cluster_1.14.1    e1071_1.6          class_7.3-3        CAMERA_1.11.1   
[25] snow_0.3-7        xcms_1.30.3     

loaded via a namespace (and not attached):
[1] graph_1.32.0  Hmisc_3.9-0    igraph_0.5.5-3 lattice_0.20-0 RBGL_1.30.1 
[6] tools_2.14.1 


and:
> traceback()
11: stop(gettextf(""%s" is not a slot in class %s", name, dQuote(cl)),
        domain = NA)
10: checkSlotAssignment(object, name, value)
9: `slot<-`(object, name, TRUE, value)
8: `@<-`(`*tmp*`, scantime, value = c(364.497009277344, 365.298553466797,
  366.100128173828, 366.901794433594, 367.703460693359, 368.505187988281, .... many more.....
  2700.44604492188, 2701.31811523438, 2702.17993164062))
7: .local(object, ...)
6: fillPeaks.chrom(object, ...)
5: fillPeaks.chrom(object, ...)
4: do.call(method, alist(object, ...))
3: .local(object, ...)
2: fillPeaks(xsetR)
1: fillPeaks(xsetR)
>


Best

P.S. Happy new year!! :mrgreen:
Title: Re: fillPeaks ERROR
Post by: Ralf on January 03, 2012, 05:15:55 PM
Very strange. For some reason this assignment
Code: [Select]
lcraw@scantime <- rtcor[[i]]
in fillPeaks.chrom() seems to fail in that case.

Does it work on XCMS Online ?

By the way, there is no need to pre-group if you use OBIWarp.
Title: Re: fillPeaks ERROR
Post by: Ricca on January 04, 2012, 02:22:56 AM
Quote
Does it work on XCMS Online ?
No, I work on my worrksation.


Quote
there is no need to pre-group if you use OBIWarp
Thanks for the suggestion.

How can I go on with my analysis?

Best
Title: Re: fillPeaks ERROR
Post by: Ralf on January 04, 2012, 11:06:56 AM
What I meant was have you tried analysing the same dataset on XCMS Online,
to see if it works there ?
Title: Re: fillPeaks ERROR
Post by: Ralf on January 04, 2012, 01:26:54 PM
Since we don't know what effects the brand-new R2.14.1 might have on XCMS,
you might want to try using a well-tested version like R2.12.1.
Title: Re: fillPeaks ERROR
Post by: Ricca on January 04, 2012, 03:10:39 PM
How can I downgrade R 2.14.1 to R 2.14.1??

What could happens to all the library installed?? Should I re-install all??
Title: Re: fillPeaks ERROR
Post by: Ricca on January 11, 2012, 11:05:10 AM
Quote from: "Ralf"
What I meant was have you tried analysing the same dataset on XCMS Online,
to see if it works there ?

Hi I tried to use xcms online and it works. So the problem is in my workstation. Have you ever tried to use xcms with R 2.14?? Uninstall and re-install the downgraded version of R is the very last option.  :cry:

Do you have any further suggestion??

Best

EDIT
I also tried on my home computer and all works fine.
The session info on my home pc is:

> traceback()
9: logical(nrow(m))
8: rectUnique(groupmat[, c("mzmin", "mzmax", "rtmin", "rtmax"),
      drop = FALSE], uorder)
7: .local(object, ...)
6: group.density(object, ...)
5: group.density(object, ...)
4: do.call(method, alist(object, ...))
3: .local(object, ...)
2: group(xset, bw = 30, mzwid = 0.025, minfrac = 0.5, minsamp = 10)
1: group(xset, bw = 30, mzwid = 0.025, minfrac = 0.5, minsamp = 10)


> sessionInfo( )
R version 2.14.1 (2011-12-22)
Platform: x86_64-pc-linux-gnu (64-bit)

locale:
 [1] LC_CTYPE=it_IT.utf8      LC_NUMERIC=C           
 [3] LC_TIME=it_IT.utf8        LC_COLLATE=it_IT.utf8   
 [5] LC_MONETARY=it_IT.utf8    LC_MESSAGES=it_IT.utf8 
 [7] LC_PAPER=C                LC_NAME=C               
 [9] LC_ADDRESS=C              LC_TELEPHONE=C         
[11] LC_MEASUREMENT=it_IT.utf8 LC_IDENTIFICATION=C     

attached base packages:
[1] stats    graphics  grDevices utils    datasets  methods  base   

other attached packages:
 [1] boot_1.3-3        chemometrics_1.3.7 som_0.3-5          robustbase_0.7-8 
 [5] rpart_3.1-50      pls_2.2-0          pcaPP_1.9-44      mvtnorm_0.9-9991 
 [9] nnet_7.3-1        mclust_3.4.10      MASS_7.3-16        lars_0.9-8       
[13] gclus_1.3          cluster_1.14.1    e1071_1.6          class_7.3-3     
[17] CAMERA_1.10.0      xcms_1.30.0     

loaded via a namespace (and not attached):
[1] graph_1.32.0  grid_2.14.1    Hmisc_3.9-0    igraph_0.5.5-3 lattice_0.20-0
[6] RBGL_1.30.1    tools_2.14.1 
>

 I see the main difference is the xcms version that in the home pc is 1.30.0.

Where can I download these old version to try it on my work pc??
Title: Re: fillPeaks ERROR
Post by: Carsten on January 12, 2012, 06:34:36 AM
Quote from: "Ricca"
Where can I download these old version to try it on my work pc??
If you don't have time to wait for the bugfix or want to reinstall,
you could download an older version (1.26.1) from the BioC 2.8 release (http://bioconductor.org/packages/2.8/bi ... /xcms.html (http://bioconductor.org/packages/2.8/bioc/html/xcms.html)).

If you need the exact 1.30.0 and you have a little experience with R and svn, you could do a direct checkout from the Bioconductor svn tree (see http://www.bioconductor.org/developers/source-control/ (http://www.bioconductor.org/developers/source-control/)).

You need Revision 59920, which can be checked out in a linux terminal with:
svn checkout https://hedgehog.fhcrc.org/bioconductor ... xcms@59920 (https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/xcms@59920)

Afterwards a "R CMD install xcms" installs the package, if you have all dependencies.

Carsten