After running Sirius on .ms files, import the annotation results
import.sirius(ramclustObj = NULL, ms.dir = NULL, ion.mode = NULL)
an updated ramclustR object, with new slots at $msfinder.sirius
R object - the ramclustR object which was used to write the .mat or .msp files
optional path to .mat directory. default = "spectra/ms/out" subdirectory in working directory
specify either "N" for negative ionization mode or "P" for positive ionization mode
Corey Broeckling
this function imports the output from the Sirius program to annotate the ramclustR object
Broeckling CD, Afsar FA, Neumann S, Ben-Hur A, Prenni JE. RAMClust: a novel feature clustering method enables spectral-matching-based annotation for metabolomics data. Anal Chem. 2014 Jul 15;86(14):6812-7. doi: 10.1021/ac501530d. Epub 2014 Jun 26. PubMed PMID: 24927477.
Broeckling CD, Ganna A, Layer M, Brown K, Sutton B, Ingelsson E, Peers G, Prenni JE. Enabling Efficient and Confident Annotation of LC-MS Metabolomics Data through MS1 Spectrum and Time Prediction. Anal Chem. 2016 Sep 20;88(18):9226-34. doi: 10.1021/acs.analchem.6b02479. Epub 2016 Sep 8. PubMed PMID: 7560453.