How to run MP detection on spectra

1. Control the User setup

General options for the entire process can be found in "User setup -> Options"

2. Convert data files

Depending on the equipment used for the scanning, the data files vary in format. They need to be converted to be able to analyse them in siMPle. User can change settings, e.g. spectroscopy mode and FPA size, according to the parameters of the scan.

3. Load the .spe file

After successful conversion, the resulted .spe file will be loaded.

If conversion was not necessary: "Load -> Load .spe files"

4. Load reference spectra

The default database can be downloaded here.

"Load -> Load reference spectra" or using the icon below:

5. Analyze for spectra fit

Now the list of reference materials are loaded. You can select those which need to be included in the analysis.

Then click on "Analyze for spectra fit".

The calculations take for a while depending on the amount of data, configurations and computer used.

6. Run MP detection

You can setup the probability thresholds before that: "Modify -> Modify loaded parameters for reference spectra"

Then click on "Find particles" on the Spectra map to run analyzis

7. Check the results on Spectra map and MP table

The "Show MP table" command brings up the table of detected particles.

Selecting one of the results in the list shows the particle and its spectrum compared to the reference

CSV export of the MP table for external analysis

MP file for the entire project to open it in siMPle later again

Raw spectra

1st derivatives

Orange: spectrum of the particle

Blue: reference spectrum

Software for the automated detection of microplastic


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