groupFWHM(CAMERA)
groupFWHM()所属R语言包:CAMERA
FWHM-Grouping of LC/ESI-MS data
半高宽分组的LC / ESI-MS的数据
译者:生物统计家园网 机器人LoveR
描述----------Description----------
Group peaks of a xsAnnotate object according to there retention time into pseudospectra-groups. Uses the peak FWHMs as grouping borders. Returns xsAnnotate object with pseudospectra informations.
根据集团一个xsAnnotate对象峰有保留时间为伪谱组。使用分组边界峰值FWHMs。返回伪谱信息xsAnnotate对象。
用法----------Usage----------
groupFWHM(object, sigma = 6 , perfwhm = 0.6, intval = "maxo")
参数----------Arguments----------
参数:object
the xsAnnotate object
xsAnnotate对象
参数:sigma
the multiplier of the standard deviation
标准偏差的乘数
参数:perfwhm
percentage of the width of the FWHM
半高宽的宽度的百分比
参数:intval
intensity values for ordering. Allowed values are into, maxo, intb
订购的强度值。允许的值是成,maxo,INTB
Details
详情----------Details----------
Every peak who eluate at the same time-point as a selected peak, will be part of the group. Same time-point is defined about the Rt_med +/- FWHM * perfwhm. For a single sample xcmsSet the selection of peaks starts at the most abundant and goes down to the smaller ones. With a multiple sample set the automatic selection uses the most abundant peak as an representative for every feature group, according to the xcms grouping. With the xsAnnotate sample parameter a sample selection can be defined to use only specific samples. See xsAnnotate-class for further information. The FWHM (full width at half maximum) of a peak is estimated as FWHM = SD * 2.35. For the calculation of the SD, the peak is assumed as normal distributed.
每峰洗脱液在相同的时间点作为一个选定的高峰,将成为该集团的一部分。同一时间点的定义有关的Rt_med + / - 半高宽* perfwhm。为单一样本xcmsSet峰选择最丰富的开始,下降到较小的。与多个样本设置自动选择使用最丰富的峰值为每个功能组的代表,根据xcms分组。样本选择与的xsAnnotate样本参数可以定义只使用特定的样本。看到xsAnnotate-class为进一步的信息。一峰的半高宽(半高全宽)估计为半高宽= SD * 2.35。高峰的SD计算,假定为正态分布。
作者(S)----------Author(s)----------
Carsten Kuhl <ckuhl@ipb-halle.de>
举例----------Examples----------
library(CAMERA)
#Single sample [单一样本]
file <- system.file('mzdata/MM14.mzdata', package = "CAMERA")
xs <- xcmsSet(file, method="centWave", ppm=30, peakwidth=c(5,10))
an <- xsAnnotate(xs)
an <- groupFWHM(an)
#Multiple sample [多个样品]
library(faahKO)
xs <- group(faahko)
#With specific selected sample[具体的方法抽选的样本]
xs.anno <- xsAnnotate(xs, sample=1)
xs.group <- groupFWHM(xs.anno)
#With automatic selection[具有自动选择]
xs.anno.auto <- xsAnnotate(xs)
xs.group.auto <- groupFWHM(xs.anno.auto)
转载请注明:出自 生物统计家园网(http://www.biostatistic.net)。
注:
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