1 Organization of the data to be analyzed

The formats supported by SPIX are:

The same directory must contain all the data to be analyzed. Different subdirectories contain data grouped by conditions and a csv file contains information about the data.

Let’s take a detailed look at how the acetamiprid data is organized: In this example, the folder acetamiprid_xy contains the raw data that we want to analyse

Here, each subfolder contains several text files:

Each of these files is a text file with two columns (\(x=m/z\) and \(y\)=intensity) and no header:

The data folder should also contain a csv file with some information about the data:

Note that the xml version of the acetamiprid data and the mzXML version of the benzisothiazolinone data are organized exactly in the same way in the directories acetamiprid_xml and benzisothiazolinone_mzXML.

2 Conversion of .xy data

For reasons of loading time and volume of data to be managed, .xy data should be first converted into Matlab (.mat) files

Select Convert in the main menu to convert this data to matlab files:

Then, select the main folder to convert

and the path to save the matlab files

Each original subfolder is converted into a mat file and saved into a new folder called data_mat