findPeaks.MS1-methods(xcms)
findPeaks.MS1-methods()所属R语言包:xcms
Collecting MS1 precursor peaks
收集MS1的易制毒化学峰
译者:生物统计家园网 机器人LoveR
描述----------Description----------
Collecting Tandem MS or MS$^n$ Mass Spectrometry
收集串联MS或MS $ ^ N $质谱
参数----------Arguments----------
参数:object
xcmsRaw object
xcmsRaw对象
Details
详情----------Details----------
Some mass spectrometers can acquire MS1 and MS2 (or MS$^n$ scans) quasi simultaneously, e.g. in data dependent tandem MS or DDIT mode.
有些质谱仪可以获取MS1和MS2(或MS $ ^ N $扫描)准同步,例如:数据依赖串联质谱或DDIT模式的。
Since xcmsFragments attaches all MS$^n$ peaks to MS1 peaks in xcmsSet, it is important that findPeaks and xcmsSet do not miss any MS1 precursor peak.
由于xcmsFragments重视所有的MS $ ^ N $峰到MS1在xcmsSet峰,重要的是,findPeaks和xcmsSet不要错过任何MS1的易制毒化学峰。
To be sure that all MS1 precursor peaks are in an xcmsSet, findPeaks.MS1 does not do an actual peak picking, but simply uses the annotation stored in mzXML, mzData or mzML raw files.
要确保所有MS1的易制毒化学峰是在xcmsSet,findPeaks.MS1不会做一个真正的高峰期采摘,但仅仅使用存储在mzXML,mzData或mzML的原始文件的注解。
This relies on the following XML tags:
这依赖于下面的XML标记:
mzData: <spectrum id="463"> <spectrumInstrument msLevel="2"> <cvParam cvLabel="psi" accession="PSI:1000039" name="TimeInSeconds" value="92.7743"/> </spectrumInstrument> <precursor msLevel="1" spectrumRef="461"> <cvParam cvLabel="psi" accession="PSI:1000040" name="MassToChargeRatio" value="462.091"/> <cvParam cvLabel="psi" accession="PSI:1000042" name="Intensity" value="366.674"/> </precursor> </spectrum>
mzData: <spectrum id="463"> <spectrumInstrument msLevel="2"> <cvParam cvLabel="psi" accession="PSI:1000039" name="TimeInSeconds" value="92.7743"/> </spectrumInstrument> <precursor msLevel="1" spectrumRef="461"> <cvParam cvLabel="psi" accession="PSI:1000040" name="MassToChargeRatio" value="462.091"/> <cvParam cvLabel="psi" accession="PSI:1000042" name="Intensity" value="366.674"/> </precursor> </spectrum>
mzXML: <scan num="17" msLevel="2" retentionTime="PT1.5224S"> <precursorMz precursorIntensity="125245">220.1828003</precursorMz> </scan>
mzXML: <scan num="17" msLevel="2" retentionTime="PT1.5224S"> <precursorMz precursorIntensity="125245">220.1828003</precursorMz> </scan>
Several mzXML and mzData converters are known to create incomplete files, either without intensities (they will be set to 0) or without the precursor retention time (then a reasonably close rt will be chosen. NYI).
几个mzXML和mzData转换被称为档案不全,没有强度(它们将被设置为0)或无前驱体的保留时间(然后将选择相当密切的RT。纽约摄影学院)创建。
值----------Value----------
A matrix with columns:
一个矩阵的列:
参数:mz, mzmin, mzmax
annotated MS1 precursor selection mass
注明MS1的易制毒化学选择质量
参数:rt, rtmin, rtmax
annotated MS1 precursor retention time
注释MS1的易制毒化学保留时间
参数:into, maxo, sn
annotated MS1 precursor intensity
注明MS1的易制毒化学强度
方法----------Methods----------
findPeaks.MS1(object)
findPeaks.MS1(object)
作者(S)----------Author(s)----------
Steffen Neumann, <a href="mailto:sneumann@ipb-halle.de">sneumann@ipb-halle.de</a>
参见----------See Also----------
findPeaks-methods xcmsRaw-class
findPeaks-methodsxcmsRaw-class
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。
|