Description Usage Arguments Value References See Also
View source: R/do_groupChromPeaks-functions.R
The do_groupPeaks_mzClust
function performs high resolution
correspondence on single spectra samples.
1 2 3 4 5 6 7 8 | do_groupPeaks_mzClust(
peaks,
sampleGroups,
ppm = 20,
absMz = 0,
minFraction = 0.5,
minSamples = 1
)
|
peaks |
A |
sampleGroups |
A vector of the same length than samples defining the
sample group assignments (i.e. which samples belong to which sample
group). This parameter is mandatory for the |
ppm |
|
absMz |
|
minFraction |
|
minSamples |
|
A list
with elements "featureDefinitions"
and
"peakIndex"
. "featureDefinitions"
is a matrix
, each row
representing an (mz-rt) feature (i.e. peak group) with columns:
"mzmed"
: median of the peaks' apex mz values.
"mzmin"
: smallest mz value of all peaks' apex within the feature.
"mzmax"
: largest mz value of all peaks' apex within the feature.
"rtmed"
: always -1
.
"rtmin"
: always -1
.
"rtmax"
: always -1
.
"npeaks"
: the total number of peaks assigned to the feature. Note that
this number can be larger than the total number of samples, since
multiple peaks from the same sample could be assigned to a group.
"peakIndex"
is a list
with the indices of all peaks in a peak group in
the peaks
input matrix.
Saira A. Kazmi, Samiran Ghosh, Dong-Guk Shin, Dennis W. Hill
and David F. Grant
Alignment of high resolution mass spectra:
development of a heuristic approach for metabolomics.
Metabolomics,
Vol. 2, No. 2, 75-83 (2006)
Other core peak grouping algorithms:
do_groupChromPeaks_density()
,
do_groupChromPeaks_nearest()
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.