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Topics - agentfourtea7

1
MS-DIAL / MS-DIAL file import: sorting
Hi,

Has anyone else faced the odd issue where MS-DIAL does not allow you to change file name/order after import? It imports in a weird alphabetical order and you cannot change it. So if my file names are 1 - 150, MS-DIAL imports them in this order:

1
10
11
12
13
14
15
.....
2
20
21
22
23
24...

and so on.

After this it assigns the file a 1-150 analytical order which isn't right, so it requires me to edit the sample orders in excel which isn't easy to do as it needs matching to the 1,10,11,12 format as you cannot change file name once imported.

It would be nice to be able to sort the imported data within MS-DIAL GUI interface. Or allow for edit of file names or order.
2
MS-DIAL / Peak detection: Amplitude calc
Hi all,

I have been exploring MS-DIAL recently and I am wanting to learn optimising the parameters better. My question is for GCQTOF data, on MSDIAL - during peak detection how do I determine an accurate amplitude? Recommended is 1000, there's not a lot of guidance on the MS-DIAL manual explaining this in detail.

I am used to exploring my raw data in mzMine to determine noise level, in 1E2-5E5 sort of ranges. How does, or does it at all translate to how amplitude is decided?

Thank you
3
MZmine / mzMine parameter optimisation/guidance
Hi all,

Has anyone managed to find a quick guide on how each parameter on mzmine can be optimised based on the data. i.e. what and where to look in the spectra to set min height, or max intensity, or noise threshold values etc.? - or are we all eyeballing it?

I use it mostly for untargeted LC work. GC does not work for me and crashes more often than MS DIAL does.

Thank you
4
MS-DIAL / MSDIAL 5.1.0 - GC data disabled (greyed out)
Hi all,

Has anyone faced the issue with new MSDIAL release on Win10 v5.1.0 where you cannot select GC-MS as your technique when setting up a new project? I can only choose LC-MS and the relevant ionisation modes.

Would love to be able to analyse GC-MS data with the newer version too.

Thank you
5
MZmine / MZmine 3.0: Compatibility with MacOS, M1 infrastructure
Hi,

Has anyone had any success using MZmine on M1 Macs? - Not sure if they are compatible or if there is a workaround. We would have to invest into a Windows-eco system if they are not Mac compatible already, so any workaround would save us spending ££££s atm.

Thank you