Yuting data issue

Hi Jacobo,

I tested the Lx2 with raw files and filtered-stitched files today, and encountered 2 problems:

• 1. Input with raw files: it went through to generate an output csv file, but there are some redundant annotations in it. For example, for LPG 13:0, it hits 2 m/z (440.xxxs and 441.xxxx), but only the 441.xxxx is supposed to be annotated as LPG 13:0. These redundant annotations also showed up in LPI and PG classes. I uploaded the test sample files, output.csv and MFQL I used in the owncloud folder LX 2.0/Yuting/Test_Lx2_raw.

• 2. Input with filtered-stitched files (by PeakStrainer) which were converted into mzML by MSconvert: it didn't went through and showed an error message. I asked Oskar, and he suspected it was due to lack of the "filter line" in the converted mzML, which was caused by the MSconvert. I uploaded sample files and the error message into the folder LX 2.0/Yuting/Test_Lx2_stitched.

Please let me know if there's anything not clear, or you need more information/data from me.

Thanks!

Yuting