Mahnoor Zulfiqar

Hi Egon, Yes, I am planning to add the pathway annotation as a module for MAW, which can link SMILES (or as you suggested InChiKey) to biological pathways. on a...

also add MGF as an option

Hello, Yes the error is due to SIRIUS4 and the webservices linked to SIRIUS4 are not supported anymore. We are currently working on adding the latest SIRIUS version (in a...

Alright. Here are few points that you can consider and let me know: 1. If you only plan to use SIRIUS5, you can use the MAW-R module (without the spectral...

Hello, Please refer to the updated sections in the "provenance" branch README.md. [README.md link from provenance branch](https://github.com/zmahnoor14/MAW/blob/provenance/README.md) I have mentioned SIRIUS5 as a separate section from MAW-R and following the...

> Hi I have not found the file spectral_results_for_xxxx.csv in the folder spectral_dereplication root@ed67702f821e:/opt/workdir/data/HY1/spectral_dereplication# ls GNPS HMDB MassBank I would assume that the function wasn't finished because this file is...

> Hi I meet another maybe similar reason problem as below, The following object is masked from ‘package:readr’: > > ``` > parse_date > ``` > > Error in unserialize(node$con)...

Sorry for the delayed response here, I am currently trying to fix all these issues with CWL, but it is still not ready yet. So to work around these issues...

Dear Li Zhihua, sorry for my late response, I am still a PhD student and currently trying to finish my projects and have a lot of work on hands :...

[ms2lda code](https://github.com/CCMS-UCSD/GNPS_Workflows/tree/master/ms2lda_motifdb)