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ChemProject

ChemFlow-FAQ

Maintenance of the France Grille Strasbourg server from Tuesday August 2, 2022 from 7 a.m. to 10 a.m.

How to create a Chemflow account?

With your professional email with a short biography (use of the software, profession, location, etc.), send an email to chemflow_at_chemproject.org for the subject "chemflow - access request".

Where can I find the chemometry libraries used by Chemflow software?

Chemflow disseminates the chemometric methods developed by the teachers. Thanks to the Galaxy platform we were able to integrate all the codes coming from Matlab with its free Octave clone, scilab and those coming from the R software.
The vast majority of the functions used come from the FACT "Free-Access Chemometric Toolbox" library from Scilab. It is available free of charge from the Atoms repository at Scilab. For R, there are several libraries available on Cran such as the PLS package for regressions, the prospectr package for preprocessing, the cluster package for clustering, 2 packages more specifically dedicated to statistical methods in chemometrics chemometrics and Chemospec. In this discussion forum you can share your codes.
Chemflow codes are on Sourcesup and Framagit.

What security for my data on Chemflow?

The data uploaded to Chemflow is confidential. This data, like the software, is stored in a CLOUD France Grille in Strasbourg. I remind you that by requesting your account on Chemflow you have accepted the terms and conditions of the chemflow IT charter available on chemproject.org.

How to redo a graph by changing parameters?

To redo a function like that of the histogram with the same parameters or by changing, click on the name of the data set and the view widens to show more details such as the recycling sign or the restart symbol.

Is it possible in Chemflow to automate to try several parameters?

The "Multiple Datasets" button (double A4 sheet logo) allows you to select several items / data from your history from the drop-down list.
You also have workflows: from your history you can save your approach by clicking on the "Extract Workflow" gear wheel. You have general documentation on the site https://galaxyproject.org/learn/advanced-workflow.

How is it possible to change the scale on the axes of the graphs produced with Chemflow?

The interactive graphs function at the top of the plots section allows you to modify the type of graph (curves, points, etc.), axis legends, colors, etc. It allows you to redo most of the outputs of the other graphic functions of ChemFlow.