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Merge PR bioconda#28500, commits were: * Add ProteomIQon.PSMBasedQuantification * Merge branch 'master' of https://github.com/bioconda/bioconda-recipes * Merge branch 'master' of https://github.com/bioconda/bioconda-recipes * Merge pull request #1 from bioconda/master Update Fork
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{% set version = "0.0.4" %} | ||
{% set sha256 = "1588e773958ff09ff8d3023b1f6b4a14821b909bf7c700b8c75c9b4305f93cff" %} | ||
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package: | ||
name: proteomiqon-psmbasedquantification | ||
version: '{{ version }}' | ||
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source: | ||
url: https://www.nuget.org/api/v2/package/ProteomIQon.PSMBasedQuantification/{{ version }} | ||
sha256: '{{ sha256 }}' | ||
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build: | ||
noarch: generic | ||
number: 0 | ||
script: | ||
- dotnet tool install --add-source $SRC_DIR --tool-path $PREFIX/bin --version {{ version }} ProteomIQon.PSMBasedQuantification | ||
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requirements: | ||
host: | ||
- dotnet-sdk | ||
run: | ||
- dotnet-runtime | ||
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test: | ||
commands: | ||
- proteomiqon-psmbasedquantification --help | ||
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about: | ||
home: https://csbiology.github.io/ProteomIQon/ | ||
license: MIT | ||
summary: The quantification tool was designed to allow label-free quantification as well as quantification of full metabolic labeled samples. | ||
description: | | ||
Given an MS run in the mzLite or mzml format and a list of fdr controlled peptide spectrum matches, this tool iterates accross all identified MS/MS scans and groups them by | ||
the assigned peptide ion. The scan times of each MS/MS spectrum are then weighted according to the quality of each match to build an reliable estimator for the scan time of | ||
the peptide ion in question. This scan time estimator, combined with the monoisotopic m/z, is then used to extract an ion chromatogram. Using wavelet based peak detection | ||
techniques we identify all peaks present in the XIC and select the most probable peak our target for quantification. Using parameter estimation techniques we subsequently | ||
use peak fitting to fit a set of two gaussian models to the detected peak, from whom the one with the better fit is selected. This allows us not only to report how well | ||
the signal fitted to the theoretical expected peak shape but also to obtain accurate estimates for the peak area, our estimator for peptide ion abundance. | ||
The quantification tool was designed to allow label-free quantification as well as quantification of full metabolic labeled samples. For this we use the known identity | ||
of one of the the peptide ions and calculate the m/z of the unobserved differentially labeled counterpart to extract and quantify the corresponding XIC. | ||
dev_url: https://github.com/CSBiology/ProteomIQon | ||
doc_url: https://csbiology.github.io/ProteomIQon/tools/PSMBasedQuantification.html |