NMR1D Using your own data

Using your own data

As of the Bucetin release (2017-08), for this first NMR1D workflow version, we only support data in MetaboLights that follows certain formatting. This is due to the fact that researchers collect NMR raw data in different ways. If you would like to use this workflow version with your own data (not supported, but posible for advanced users), please follow the data formatting used in MTBLS1, which is explained in the following figure:

The data coloured in red has to be in one single zip file, for each sample. Then each sample needs to be uploaded as a separate zip, and create a data set collection in Galaxy with those according to this instructions. This of course means that you need to write your own macro file for your data (in replacement of the NP_macro_cmd_ADG19007_nmrML.txt file).