![]() To create your metadata table properly, see the documentation here. (3) Select your metadata table formatted as a tab-separated. The right "Quantification Table Source" has to be selected. ![]() Otherwise, they can be added by the user from others processing software (MS-DIAL, MZmine2, etc.). csv feature quantification table automatically (with balance score) adds if the spectral library search is launched from the deconvolution job performed with MS-Hub. mgf file containing the deconvolved EI spectra and the. By clicking on "select Input Files", a pop-up window appears, allowing to select every needed file. The "Search Option" section in the job window allows importing files needed for the spectral library search and the molecular networking generation. By clicking on the “Analyze” icon from the GNPS home page.See GC-MS Deconvolution for GNPS documentation. By clicking on the link “Search Spectral Library and Molecular Network” from the deconvolution job page status.There are two options to open the job page for conducting a spectral library search and create a molecular network. GC-MS Spectral Library Search and Molecular Networking ¶ Configure the workflow ¶ Molecular Networking - Analog Discovery in Microbial Extractsįeature-Based Molecular Networking (FBMN) with MZmine2 - Microbiome Molecules in Fecal Samples in American Gut ProjectįBMN with MS-DIAL - Microbiome Molecules in Fecal Samples in American Gut Project ![]() Open-source Method for Reference Library Generationĭata Acqusition - Thermo QExactive (v1.0) Reference Spectral Library mzVault Addition Reference Spectral Library Batch Addition MS2LDA and MotifDB Substructure DiscoveryĪdd/Curate Reference Spectrum in the Library ![]() GC-MS Library Search and Molecular Networking ![]()
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