findAdducts-methods(CAMERA)
findAdducts-methods()所属R语言包：CAMERA
Calculate Adducts and Annotate LC/ESI-MS Spectra
计算加合物和注释液相色谱/电喷雾质谱
译者：生物统计家园网 机器人LoveR
描述----------Description----------
Annotate adducts (and fragments) for a xsAnnotate object. Returns a xsAnnotate object with annotated pseudospectra.
注释加合物（片段）为xsAnnotate对象。返回一个带注释的伪谱xsAnnotate对象。
用法----------Usage----------
findAdducts(object, ppm=5, mzabs=0.015, multiplier=3,
polarity=NULL, rules=NULL, max_peaks=100, psg_list=NULL)
参数----------Arguments----------
参数：object
the xsAnnotate object
xsAnnotate对象
参数：ppm
ppm error for the search
ppm误差搜索
参数：mzabs
allowed variance for the search
允许误差为搜索
参数：multiplier
highest number(n) of allowed clusterion [nM+ion]
最高数（n）允许聚类竞争纳米离子]
参数：polarity
Which polarity mode was used for measuring of the ms sample
其中极性模式用于MS样品的测量
参数：rules
personal ruleset or with NULL standard ruleset will be calculated
个人NULL标准规则集规则集或将计算
参数：max_peaks
If run in parralel mode, this number defines how much peaks will be calculated in every thread
如果在parralel模式运行，这个数字定义了多少峰将在每一个线程计算
参数：psg_list
Vector of pseudospectra indices. The correlation analysis will be only done for those groups
向量的伪谱指数。相关分析将只为这些群体
Details
详情----------Details----------
Adducts (and fragments) are annotated for a xsAnnotate object. For every pseudospectra group, generated bei groupFWHM and groupCorr, all possible Adducts are calculated and mapped to the peaks. If at least two adducts match, a possible molecule-mass for the group can be calculated. After the annotation every masshypothese is checked against the charge of the calculated isotopes. It is recommend to call findIsotopes() before the annotation step.
加合物（片段）是注明为xsAnnotate对象。对于每一个伪谱组产生北groupFWHM和groupCorr，计算所有可能的加合物和映射到峰值。如果至少有两个加合物的匹配，一个组可能可以计算出分子质量。注释后，每masshypothese计算同位素负责核对。它建议致电前注释一步findIsotopes（）。
作者（S）----------Author(s)----------
Carsten Kuhl <ckuhl@ipb-halle.de>
举例----------Examples----------
library(CAMERA)
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)
an <- findIsotopes(an) # optional but recommended.[可选的，但建议。]
#an <- groupCorr(an) # optional but very recommended step[< - groupCorr（）＃可选的，但很推荐一步]
an <- findAdducts(an,polarity="positive")
peaklist <- getPeaklist(an) # get the annotated peak list[得到注明峰列表]
转载请注明:出自 生物统计家园网(http://www.biostatistic.net)。
注：
注1：为了方便大家学习，本文档为生物统计家园网机器人LoveR翻译而成，仅供个人R语言学习参考使用，生物统计家园保留版权。
注2：由于是机器人自动翻译，难免有不准确之处，使用时仔细对照中、英文内容进行反复理解，可以帮助R语言的学习。
注3：如遇到不准确之处，请在本贴的后面进行回帖，我们会逐渐进行修订。
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发表于 2012-2-25 14:03:42
