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Metabolomics Society Forum

Software => MS-DIAL => Topic started by: Manish Kumar on October 27, 2022, 12:52:29 PM

Title: How to do multiple regression or PCA in MS Dial?
Post by: Manish Kumar on October 27, 2022, 12:52:29 PM
I am trying to do PCA to find out what compounds are in higher concentrations in one group compared to others and leads to separation.

Title: Re: How to do multiple regression or PCA in MS Dial?
Post by: triston.groff on November 02, 2022, 08:33:54 PM
PLS-DA may be better for this since it is supervised. Anyway, this can be done by assigning Class ID ['option' tab in toolbar],
 normalizing (must assign class first; I prefer LOWESS + an internal standard)[data visualization tab], then doing stats in the tool that is also under the data visualization tab (can't remember name off the top of my head).

Take care,
Triston
Title: Re: How to do multiple regression or PCA in MS Dial?
Post by: agentfourtea7 on November 07, 2022, 10:04:27 AM
Quote from: triston.groff – on
PLS-DA may be better for this since it is supervised. Anyway, this can be done by assigning Class ID ['option' tab in toolbar],
 normalizing (must assign class first; I prefer LOWESS + an internal standard)[data visualization tab], then doing stats in the tool that is also under the data visualization tab (can't remember name off the top of my head).

Take care,
Triston


Great tip, what I struggle to understand is for PLS-DA it requires a y-variable to be defined, would you know how that's done?
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