group.density

group.density,xcmsSet-method

object


    minimum fraction of samples necessary in at least one of the sample
    groups for it to be a valid group
  

minfrac


    minimum number of samples necessary in at least one of the sample
    groups for it to be a valid group
  

minsamp


    bandwidth (standard deviation or half width at half maximum)
    of gaussian smoothing kernel to apply to the peak density
    chromatogram
  


    width of overlapping m/z slices to use for creating peak density
    chromatograms and grouping peaks across samples
  

mzwid


    maximum number of groups to identify in a single m/z slice
  


    seconds to pause between plotting successive steps of the peak
    grouping algorithm. peaks are plotted as points showing relative
    intensity. identified groups are flanked by dotted vertical
    lines.
  

sleep


 Group peaks together across samples using overlapping m/z bins and
 calculation of smoothed peak distributions in chromatographic time.


methods

file

Framework for processing and visualization of
chromatographically separated and single-spectra mass spectral data. Imports from
AIA/ANDI NetCDF, mzXML, mzData and mzML files. Preprocesses data for
high-throughput, untargeted analyte profiling.

Steffen Neumann

xcms

LC/MS and GC/MS Data Analysis

group.density function

<dl>
<dt>object = "xcmsSet"</dt><dd>
  <code>
    group(object, bw = 30, minfrac = 0.5, minsamp = 1,
    mzwid = 0.25, max = 50, sleep = 0)
  </code>
</dd> </dl>

group.density: Group peaks from different samples together

Description

Arguments

Value

Methods

See Also