Mercurial > repos > lain > xseekerpreparator
view format_versionning.MD @ 4:8cc9fc8eacac draft
" master branch Updating"
author | lain |
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date | Thu, 17 Dec 2020 12:54:10 +0000 |
parents | a174cbbb12dd |
children | 2937e72e5891 |
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INTRODUCTION ===== This file describes the format of the database generated by XSeeker Preprocessor. This format will evolve in the future to fit users wanted features. That's why there is a history of versions numbers, describing what they brought to the sqlite file, and how it was usefull. The first version (the older one) is at the bottom of this file, and the modifications provided by the newest versions are on top of the file. VERSION 1.1.2 ===== add missing mz_tab_info$group_length field to produce mzTab VERSION 1.1.1 ===== add missing mz_tab_info$dataset_path field to produce mzTab VERSION 1.1.0 ===== Summary: - The field `mz_tab_info` was added in new table smol_xcms_set. smol_xcms_set table added ----- This table contains a subset of the original ms file. mz_tab_info field added to smol_xcms_set ----- This field contains five subfields: - sampclass ; - sampnames ; - rtmed ; - mzmed ; - smallmolecule_abundance_assay . These fields were added after users asked to export data from XSeeker in mzTab files. XCMS has some functions to extract sampclass, sampnames, rtmed, mzmed and smallmolecule_abundance_assay from xcms set. Then, they are used in the mz tab creation process, but we didn't want to keep the whole xcmsset object. So we used the original code from XCMS and modified it a little bit, justifying the extraction of these new fields. VERSION 1.0.0 ===== DATABASE ----- ### SAMPLE #### RAW This structure is an epurated and enriched version of the original rdata, saved as a compressed env: `blob::blob(fst::compress_fst(serialize(raw, NULL), compression=100))` The fields contained in the env are as follow: ##### variableMetadata ##### tic ##### mz ##### scanindex ##### scantime ##### intensity ##### polarity ##### sample_name ##### dataset_path ##### process_params ##### enriched_rdata ##### enriched_rdata_version ##### tool_name ##### enriched_rdata_doc