2023-04-27

This is PMAS's COMMONS Lab daily Open Notebook.

Today is 2023.04.27

Todo today

Have a look at the COMMONS research discussion forum

- https://github.com/orgs/commons-research/discussions

Doing

ENPKG work in Lausanne

For the extract specified in the BIND() clause below,

retrive the chromatogram info (RT,M/Z, peak area) and

formula. Only features with very high confidence

formula are shown. To be completed

PREFIX enpkg: https://enpkg.commons-lab.org/kg/ . PREFIX foaf: http://xmlns.com/foaf/0.1/ . PREFIX rdfs: http://www.w3.org/2000/01/rdf-schema# . PREFIX wd: http://www.wikidata.org/entity/ .

SELECT ?feature ?MZ ?RT ?string ?score ?area WHERE{ BIND( enpkg:VGF142_F07 AS ?sample ) . ?formula enpkg:has_SIRIUS_formula_string ?string ; enpkg:has_SIRIUS_formula_score ?score . ?feature enpkg:has_SIRIUS_formula ?formula ; enpkg:has_MZmine_MZ ?MZ ; enpkg:has_MZmine_RT ?RT . ?chromatogram enpkg:has_MZmine_feature ?feature . ?sample enpkg:has_MZmine_chromatogram ?chromatogram . << ?chromatogram enpkg:has_MZmine_feature ?feature >> enpkg:has_MZMine_peak_area ?area FILTER( ?score >= 0.98 ) } ORDER BY ?RT