Ming Wang
Ming Wang
I think whats happening is your mzXML has empty scans (scans with no peaks) which the software does not like.
I think the goal here is to create some normalized score that has some idea of equal reliability. This has a lot of parallels to this: https://pubs.acs.org/doi/10.1021/pr400230p We've done some...
Thats super weird. I suspect there is some weirdness in the number of the scan numbers in the input spectra file. Swing by office hours and we can take a...
Can you provide test cases for this?
We are in the process of revamping our GNPS GC library visualizations to make browsing easier. For adding GC libraries, you can follow this guide here: https://ccms-ucsd.github.io/GNPSDocumentation/batchupload/ Hope this helps...
I believe ClassyFire and NP Classifer should be integrated directly into GNPS. Those would be the tools I would recommend.
This will be a totally new library, but if you're running the batch validation workflow: https://gnps.ucsd.edu/ProteoSAFe/index.jsp?params=%7B%22workflow%22:%22ADD-BATCH-ANNOTATED-VALIDATOR%22%7D You shouldn't need to select a target library anyway. Best, Ming On Mon, Nov...
Fast Test Case: https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=114f1442a3b848e19668b17fda6bcfa0
@aaksenov1 I'm confused, for deconvolution, what should we expect, you're listing out here results for library matching. Can you clarify what correctness is for high res deconvolution. A single example...
Ok can you list out a single peak that should be high resolution and the specific mz it should be?