Script for automatic assignment of peaks using a database
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I am working on LIBS for identification of elemental composition. I am doing this by comparing my experimental data with a LIBS database. However, I have been doing this by plotting each of the element in the database with my experimental data. I need help on writing a script that can automatically assign peaks based on the comparison for all element at once to save time. Can anyone guide me on writing the script please?
Hint: LIBS database consist of individual spectrum of Intensity vs wavelength for many elements based on choice while experiment data is just a single spectra of intensity vs wavelength.
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Shivansh
2023-8-29
0 个投票
Hi Doyinsola,
I have provided the basic outline of the script which can be used to gain the above results. I have assumed that you have the datasets in a format accepted by MATLAB such as ‘.csv’ or ‘.xlsx’.
- Load the experimental data: You can do this by using the ‘load’ function.
- Load the LIBS dataset: You can load the LIBS database into MATLAB using the load command depending upon the format of file.
- Preprocess the datasets: Preprocess the datasets to make any necessary changes if required to remove noise or perform adjustments.
- Iterating through database: Iterate through the LIBS database for each element to find the peak positions for the required features and compare it with the corresponding experimental data. You can store them in a new column or as a new variable. You can use functions like ‘max’, ‘findpeaks’ for finding the peaks.
for i = 1:num_elements
Max_Val= max(DataSet(i,Col_Num));
Col_to_compare(i) = Max_Val;
end
num_elemnts: Total number of elemnts.
Col_Num = Column number of interest.
Col_to_compare = Column storing values for comparison purposes.
5. You can analyse and visualise the results now by generating plots or performing statistical calculations.
Links to the documentations for the functions
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