The in-silico lipid spectra in the database are generated from the -LipidBlast database (v68), found at The in-silico lipid spectra in PNNL's Metaref database are generated +from the LipidBlast database (v68), found at https://systemsomicslab.github.io/compms/msdial/main.html. Note that there is no retention time in the PNNL version of the database and the workflow does not use retention time scoring.
diff --git a/docs/index_lipid.rst b/docs/index_lipid.rst index 22e97a8..81ae927 100644 --- a/docs/index_lipid.rst +++ b/docs/index_lipid.rst @@ -56,10 +56,10 @@ Software Requirements Database ~~~~~~~~ -- PNNL Metabolomics LC-MS *in silico* Spectral Database +- PNNL Metabref Database (https://metabref.emsl.pnnl.gov/) -The in-silico lipid spectra in the database are generated from the LipidBlast database (v68), found at https://systemsomicslab.github.io/compms/msdial/main.html. +The in-silico lipid spectra in PNNL's Metaref database are generated from the LipidBlast database (v68), found at https://systemsomicslab.github.io/compms/msdial/main.html. Note that there is no retention time in the PNNL version of the database and the workflow does not use retention time scoring. Sample datasets