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Topic: Suggestion: Project File-Path  (Read 541 times) previous topic - next topic

Suggestion: Project File-Path

Dear Hiroshi and MS-DIAL developers,

would it be possible to add a feature that would enable to:

- first step, create a Project by specifying a directory (without ABF files), where the .mtd project and results will be created and saved 
- second step, define the path to import all the ABF files from other directories (within or outside the previous project folder)

In this way the user could, 1) keep in separate locations and/or sub-folders the ABF files,
and 2) keep separate all the outcomes (alignment, etc).

If this is already possible I apologize, but at the moment I can only different the "analysis file path" from within (or, basically only the exact same)  project file folder which contains the ABF files

Thank you for this great software

Best regards,

Stefano




Re: Suggestion: Project File-Path

Reply #1
Hi Stefano,

well, in principle, I can create this option. But I am not sure if I could have the time to develop this utility right now...
The program will create several additional format files for saving the processed data.
(1) mtd2: managing file paths and saving parameter settings
(2) pai2: saving detected peaks information
(3) dcl: saving the EI-MS or MS/MS spectrum information assigned to each deconvoluted peak (in GC-MS) and precursor ion (in LC-MS)
(4) msp2: will be generated when you import the MSP format library in metabolomics project, and it will be generated automatically in lipidomics project
(5) arf2: saving alignment spot information
(6) aef (and related folders when the file size is big): saving aligned EICs to quickly display the multi-chromatograms when users click an aligned spot.
* abf file just has the raw spectral information only, and no processed information is attached to abf file.

These additional files are necessary to save an MS-DIAL project. But these additional files can temporally be separated from abf files if you do not want to overwrite the data by the other parameter settings.
After these additional files are moved to the folder containing abf files again, the project can be restarted safely.
Just for your information.

Hiroshi