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Spectrum Deconvolution of LC-MS Data
Spectral deconvolution differentiates analyte signals from contaminants or instrumental noise, and reduces data dimensionality to benefit downstream statistical analysis.
LC-MS Datasets for the Deconvolution Tool: Input and Output Users can access the cceHUB shared data repository to search for LC-MS datasets to input into the Deconvolution Tool. Search criteria include instruments (e.g., LS-MSD TOF, XCT PLUS), data formats (e.g., mzXML, mzData, CDF), and stored data collections. Users can also access datasets stored in their own cceHUB home folders. See How to Use WebDAV for information on setting up WebDAV to "drag and drop" your datasets into your home folder at cceHUB. Files in your home folder can be input into the Deconvolution Tool by selecting the option to choose your dataset from your own collection. The Spectrum Deconvolution Tool generates one deconvoluted output file for each input LC-MS file. The output file can then be loaded as input to the Peak Alignment Tool, the next step in the cceHUB Discovery Pipeline. See the supporting documents Getting Started for more information.
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