SOFTWARE DISTRIBUTED BY THE MACCOSS LAB 2010-2011

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 MacCoss实验室在2010-2011年间分发了以下软件： MakeMS2：用于从Thermo Fisher原始仪器文件中提取质谱学数据的Windows程序。 Hardkler/Kronik：一对用于分析高分辨率质谱学数据的程序。Hardkler将返回单一或重叠的多肽/蛋白质同位素分布的单同位素m/z和电荷态。 CrawDad：用于高、低分辨率LC-MS数据的无标记相对定量的软件套件。在使用动态时间扭曲进行特征检测之前，在保留时间维度上对齐复制运行。使用统计测试检测不同强度的特征，并使用MS/MS多肽识别对其进行注释。 MScout：用于评估LC-MS数据质量的软件工具。P3 Predictor：一个简单的Windows程序，帮助建立靶向蛋白质组学的SRM转换。 IDCalc：一个Microsoft Windows程序，它实现了Kubinyi，Analytica Chimica Acta，247(1991)107-119所报告的用于预测同位素分布的方法。 Skyline：一个Windows客户端应用程序，用于构建选定的反应监测方法并分析产生的质谱学数据。 Panda：Panda是分析后数据采集的首字母缩写。熊猫使用Hardkler特征搜索器来确定LC-MS分析中的分子物种，然后使用这些信息自动构建新的方法来获取先前分析中遗漏的特征。 Topoggraph：用于分析稳定同位素标记氨基酸标记的生物样品的质谱学数据的Microsoft Windows应用程序(S) 牛眼：用于校正混合LTQ-FT和LTQ-Orbitrap质谱仪的MS/MS光谱的单同位素m/z的程序。 PepLynx：用于解释交联肽的高分辨率MS/MS光谱的程序。 P3 Predictor：一个简单的Windows程序，帮助建立靶向蛋白质组学的SRM转换。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The MacCoss lab distributed the following software in 2010-2011: MakeMS2: A windows program for extracting mass spectrometry data from Thermo Fisher RAW instrument files. Hardklor /Kronik: A pair of programs for the analysis of high resolution mass spectrometry data. Hardklor will return monoisotopic m/z and charge states for single or overlapping peptide/protein isotope distributions. CRAWDAD: A software suite for label-free relative quantitation of high- and low-resolution LC-MS data. Replicate runs are aligned in the retention time dimension prior to feature detection using dynamic time warping. Features of differential intensity are detected using statistical tests, and annotated using MS/MS peptide identifications. MScout: A software tool for assessing LC-MS data quality. P3 Predictor: A simple windows program to aide in establishing SRM transitions for targeted proteomics. IDCalc: A Microsoft Windows program that implements the method reported by Kubinyi, Analytica Chimica Acta, 247 (1991) 107-119 for the prediction of isotope distributions. Skyline: A Windows client application for building Selected Reaction Monitoring methods and analyzing the resulting mass spectrometry data. PAnDA: PAnDA is an acronym for Post Analysis Data Acquisition. PAnDA uses the Hardklor feature finder to determine the molecular species in an LC-MS analysis and then uses this information to automatically construct new methods to acquire features missed in prior analyses. Topograph: A Microsoft Windows application for the analysis of mass spectrometry data from biological samples that have been labeled with stable isotope labeled amino acid(s) BullsEye: A program for correcting the monoisotopic m/z for MS/MS spectra from hybrid LTQ-FT and LTQ-Orbitrap mass spectrometers. PepLynx: A program for the interpretation of high resolution MS/MS spectra of cross-linked peptides. P3 Predictor: A simple windows program to aide in establishing SRM transitions for targeted proteomics.