Hello all, We made a custom .msp lipidomics library and would like to use it in MSDIAL 4.9.221218. However, in the lipidomics workflow, the program does not allow us to select the .msp file. The select button takes you to lipid subclass slection but does not allow us to browse to the library file. We tried to paste the path to the .msp file in the selection box but upon processing, this link is ignored and a default, build-in library is used instead. Does anyone have any advice on how to solve this problem? Thank you,
Hello all, I came across a problem when annotating lipidomics data from Thermo instrument (.raw) using the latest MSDIAL version 4.9.221218. On average, I see ~70% fewer reference matched annotation compared to version 4.90 when using the same parameters (same parameter file) on the same raw data. Both versions detect roughly the same total number of features but the number of ref. matched is ~70% less in v. 4.9.221218
Here is an example using commercially purchased brain extract: v. 4.90: Total number of features: 8606 ref. matched: 852 v. 4.9.221218 Total number of features: 9688 ref. matched: 202
Interestingly, I only observed this using Thermo data. Processing Sciex data worked OK. Is there something that needs to be changed as far as processing parameters go for the latest version vs version 4.90?
Hello, We would like to use Ultimate SPLASH internal standard mix with MSDIAL. Since this version of SPLASH is not supported by MSDIAL, we would like to add the components to the LipidBlast library to be searched and annotated by the software and then do normalization in post-processing. This could be also used for adding additional internal standards that are not part of supported SPLASH mixes. Are there any suggestions on how to best add these compounds to the LipidBlast library to be then used in MSDIAL? Thank you, Vladimir.
With recent versions of MSDIAL, I see there is an option to export data in mztab-M format. We would like to use this format but when I try to export alignment data using this option (while no other options are selected), no file gets generated. If there is another option selected (such as Normalized data matrix) in addition to mztab-M option, an error is displayed and MSDIAL crashes. Is there any solution to this? Thank you, Vladimir.