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wraff

wrProteo:Proteomics Data Analysis Functions

Data analysis of proteomics experiments by mass spectrometry is supported by this collection of functions mostly dedicated to the analysis of (bottom-up) quantitative (XIC) data. Fasta-formatted proteomes (eg from UniProt Consortium <doi:10.1093/nar/gky1049>) can be read with automatic parsing and multiple annotation types (like species origin, abbreviated gene names, etc) extracted. Initial results from multiple software for protein (and peptide) quantitation can be imported (to a common format): MaxQuant (Tyanova et al 2016 <doi:10.1038/nprot.2016.136>), Dia-NN (Demichev et al 2020 <doi:10.1038/s41592-019-0638-x>), Fragpipe (da Veiga et al 2020 <doi:10.1038/s41592-020-0912-y>), ionbot (Degroeve et al 2021 <doi:10.1101/2021.07.02.450686>), MassChroq (Valot et al 2011 <doi:10.1002/pmic.201100120>), OpenMS (Strauss et al 2021 <doi:10.1038/nmeth.3959>), ProteomeDiscoverer (Orsburn 2021 <doi:10.3390/proteomes9010015>), Proline (Bouyssie et al 2020 <doi:10.1093/bioinformatics/btaa118>), AlphaPept (preprint Strauss et al <doi:10.1101/2021.07.23.453379>) and Wombat-P (Bouyssie et al 2023 <doi:10.1021/acs.jproteome.3c00636>. Meta-data provided by initial analysis software and/or in sdrf format can be integrated to the analysis. Quantitative proteomics measurements frequently contain multiple NA values, due to physical absence of given peptides in some samples, limitations in sensitivity or other reasons. Help is provided to inspect the data graphically to investigate the nature of NA-values via their respective replicate measurements and to help/confirm the choice of NA-replacement algorithms. Meta-data in sdrf-format (Perez-Riverol et al 2020 <doi:10.1021/acs.jproteome.0c00376>) or similar tabular formats can be imported and included. Missing values can be inspected and imputed based on the concept of NA-neighbours or other methods. Dedicated filtering and statistical testing using the framework of package 'limma' <doi:10.18129/B9.bioc.limma> can be run, enhanced by multiple rounds of NA-replacements to provide robustness towards rare stochastic events. Multi-species samples, as frequently used in benchmark-tests (eg Navarro et al 2016 <doi:10.1038/nbt.3685>, Ramus et al 2016 <doi:10.1016/j.jprot.2015.11.011>), can be run with special options considering such sub-groups during normalization and testing. Subsequently, ROC curves (Hand and Till 2001 <doi:10.1023/A:1010920819831>) can be constructed to compare multiple analysis approaches. As detailed example the data-set from Ramus et al 2016 <doi:10.1016/j.jprot.2015.11.011>) quantified by MaxQuant, ProteomeDiscoverer, and Proline is provided with a detailed analysis of heterologous spike-in proteins.

Maintained by Wolfgang Raffelsberger. Last updated 4 months ago.

0.5 match 3.67 score 17 scripts 1 dependents

mondrus96

fabisearch:Change Point Detection in High-Dimensional Time Series Networks

Implementation of the Factorized Binary Search (FaBiSearch) methodology for the estimation of the number and the location of multiple change points in the network (or clustering) structure of multivariate high-dimensional time series. The method is motivated by the detection of change points in functional connectivity networks for functional magnetic resonance imaging (fMRI) data. FaBiSearch uses non-negative matrix factorization (NMF), an unsupervised dimension reduction technique, and a new binary search algorithm to identify multiple change points. It requires minimal assumptions. Lastly, we provide interactive, 3-dimensional, brain-specific network visualization capability in a flexible, stand-alone function. This function can be conveniently used with any node coordinate atlas, and nodes can be color coded according to community membership, if applicable. The output is an elegantly displayed network laid over a cortical surface, which can be rotated in the 3-dimensional space. The main routines of the package are detect.cps(), for multiple change point detection, est.net(), for estimating a network between stationary multivariate time series, net.3dplot(), for plotting the estimated functional connectivity networks, and opt.rank(), for finding the optimal rank in NMF for a given data set. The functions have been extensively tested on simulated multivariate high-dimensional time series data and fMRI data. For details on the FaBiSearch methodology, please see Ondrus et al. (2021) <arXiv:2103.06347>. For a more detailed explanation and applied examples of the fabisearch package, please see Ondrus and Cribben (2022), preprint.

Maintained by Martin Ondrus. Last updated 7 months ago.

0.5 match 1 stars 3.00 score 2 scripts

michaelklein916

crso:Cancer Rule Set Optimization ('crso')

An algorithm for identifying candidate driver combinations in cancer. CRSO is based on a theoretical model of cancer in which a cancer rule is defined to be a collection of two or more events (i.e., alterations) that are minimally sufficient to cause cancer. A cancer rule set is a set of cancer rules that collectively are assumed to account for all of ways to cause cancer in the population. In CRSO every event is designated explicitly as a passenger or driver within each patient. Each event is associated with a patient-specific, event-specific passenger penalty, reflecting how unlikely the event would have happened by chance, i.e., as a passenger. CRSO evaluates each rule set by assigning all samples to a rule in the rule set, or to the null rule, and then calculating the total statistical penalty from all unassigned event. CRSO uses a three phase procedure find the best rule set of fixed size K for a range of Ks. A core rule set is then identified from among the best rule sets of size K as the rule set that best balances rule set size and statistical penalty. Users should consult the 'crso' vignette for an example walk through of a full CRSO run. The full description, of the CRSO algorithm is presented in: Klein MI, Cannataro V, Townsend J, Stern DF and Zhao H. "Identifying combinations of cancer driver in individual patients." BioRxiv 674234 [Preprint]. June 19, 2019. <doi:10.1101/674234>. Please cite this article if you use 'crso'.

Maintained by Michael Klein. Last updated 6 years ago.

0.5 match 2.32 score 21 scripts