[ 原始碼： minexpert2 ]
套件：minexpert2-doc（9.6.0-1）
MS^n mass spectrometric data visualization and mining (doc)
mineXpert2 allows the user to perform the following tasks:
- Open mass spectrometry data files (mzML, mzXML, asc, xy, ...); - Display in a table view the full data set, for easy filtering; - Calculate and display the TIC chromatogram; - Calculate and display a mz=f(rt) color map; - For mobility data, calculate and display a mz=f(dt) color map; - Integrate the mass spectrometric data from any kind of data representation (mass | drift spectra, TIC | XIC chromatogram, 2D color maps) to any other kind of data representation; - For any mass data feature (mass peak, TIC | XIC peak, color map) integrate to a XIC single intensity value; - Powerful isotopic cluster calculation starting from a chemical formula, optionally with user-defined isotopic abundance ratios; - Gaussian fit over any isotopic cluster to estimate the average mass of a given ion; - Mouse-driven deconvolution of m/z data (charge envelope-based or isotopic cluster-based); - Export the data to text files; - Export the graphical representation of mass spectrometric data to graphics files in a number of formats (jpg, png, pdf).
This package ships the user manual in both PDF and HTML formats.
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