xcmsFragments-class(xcms)
xcmsFragments-class()所属R语言包：xcms
Class xcmsFragments, a class for handling Tandem MS and MS$^n$ data
的类xcmsFragments，一类串联MS和MS $ ^ n $的数据处理
译者：生物统计家园网 机器人LoveR
描述----------Description----------
This class is similar to xcmsSet because it stores peaks from a number of individual files. However, xcmsFragments keeps Tandem MS and e.g. Ion Trap or Orbitrap MS$^n$ peaks, including the parent ion relationships.
这个类是类似于xcmsSet，因为它从单个文件存储的山峰。然而，xcmsFragments保持串联质谱例如离子阱或Orbitrap质谱$ ^ n $的山峰，其中包括母离子的关系。
类的对象----------Objects from the Class----------
Objects can be created with the xcmsFragments constructor and filled with peaks using the collect method.
xcmsFragments构造可以创建对象和使用收集方法峰填补。
插槽----------Slots----------
matrix with colmns peakID (MS1 parent in corresponding xcmsSet), MSnParentPeakID (parent peak within this xcmsFragments), msLevel (e.g. 2 for Tandem MS), rt (retention time in case of LC data), mz (fragment mass-to-charge), intensity (peak intensity extracted from the original xcmsSet), sample (the index of the rawData-file).
矩阵colmns peakID（MS1的在相应xcmsSet父），MSnParentPeakID（父在这xcmsFragments高峰），msLevel串联质谱2）（例如，RT（保留时间）在立法会的数据的情况下，MZ（片段的质量负责） ，强度（峰值强度提取原xcmsSet），样本（指数的rawData文件）。
MS2spec: This is a list of matrixes. Each matrix in the list is a single collected spectra from collect. The column ID's are mz, intensity, and full width half maximum(fwhm). The fwhm column is only relevant if the spectra came from profile data.
MS2spec：这是一个矩阵列表。列表中的每个矩阵是一个单一的从collect收集的光谱。列ID的MZ，强度，全宽半高（FWHM）。 FWHM列是唯一相关的光谱剖面数据。
specinfo: This is a matrix with reference data for the spectra in MS2spec. The column id's are preMZ, AccMZ, rtmin, rtmax, ref, CollisionEnergy. The preMZ is precursor mass from the MS1 scan. This mass is given by the XML file. With some instruments this mass is only given as nominal mass, therefore a AccMZ is given which is a weighted average mass from the MS1 scan of the collected spectra. The retention time is given by rtmin and rtmax. The ref column is a pointer to the MS2spec matrix spectra. The collisionEnergy column is the collision Energy for the spectra.
specinfo：这是一个矩阵与光谱MS2spec参考数据。 id列的preMZ，AccMZ，rtmin，rtmax，楼盘，CollisionEnergy。 preMZ是易制毒化学从MS1的扫描质量。这种大规模的XML文件。一些文书质量为名义的质量，因此这是一个加权平均质量，从收集到的光谱MS1的扫描，给出AccMZ。给出由rtmin和rtmax的保留时间。 ref列的MS2spec矩阵光谱的指针。 collisionEnergy列是光谱的碰撞能量。
方法----------Methods----------
signature(object = "xcmsFragments"): gets a xcmsSet-object, collects ms1-peaks from it and the msn-peaks from the corresponding xcmsRaw-files.
signature(object = "xcmsFragments")：获取xcmsSet的对象，收集从MS1峰和MSN峰的相应xcmsRaw文件。
signature(object = "xcmsFragments"): prints a (text based) pseudo-tree of the peaktable to display the dependencies of the peaks among each other.
signature(object = "xcmsFragments")：打印（基于文本）的peaktable伪树，以显示彼此之间的峰的依赖。
signature(object = "xcmsFragments"): print a human-readable description of this object to the console.
signature(object = "xcmsFragments")：打印控制台对象的人类可读的描述。
注意----------Note----------
No notes yet.
还没有注意到。
作者（S）----------Author(s)----------
S. Neumann, J. Kutzera
参考文献----------References----------
http://metlin.scripps.edu/
参见----------See Also----------
xcmsRaw
xcmsRaw
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。
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发表于 2012-2-26 16:11:05
