UNIFI keeps spectral data in Oracle database architecture, so you cannot get your raw data by simple copy and paste. How to convert UNIFI data for molecular networking ¶ Raw data files acquired by MassLynx software, see 3.
How to convert UNIFI data for molecular networking If you are using Waters machines operated by UNIFI software, see 2. You can find relevant information here.Ĭurrently, there are two different operating softwares for Waters machine, and they use entirely different file systems thus, different data conversion pipelines are required. However, MSe data can be deconvoluted (currently MS-DIAL is the proper software for it) and applied to the FBMN workflow. One of the most frequent questions from Waters users is if they can use MSe data for molecular networking.īascially, MSe data is not available for classical molecular networking workflow, because it is a type of data-independent acquisition method so does not include precursor ion information. This page describes how you can convert raw data from Waters machines. 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 Projectįile Conversion (Waters) 1. 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 How to convert UNIFI data for molecular networkingģ.
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