ICPOES data reduction from Qtegra raw data
MATLAB scripts for ICPOES data reduction from Qtegra raw data.
Ángel Rodés, SUERC (2021)\
angelrodes.com
These files must be in the same folder:
.csv
ICPOESdatared_vX.m
linear_regression_chisq_fn.m
normrnd_BoxMuller.m
Raw.Average
, Raw.STD
and ExtCal.StandardConcentration
in a .csv
file with semicolon (;
) as separator:
Raw.Average;(...);Raw.STD;(...);ExtCal.StandardConcentration
See example file: AR20200205Aliquots.csv
You can export other data too. They will be ignored.
Modify data in ExtCal.StandardConcentration
columns if needed. E.g. if you want to use some standard data not stated in Qtegra.
Run ICPOESdatared_vX.m
in MATLAB/Octave and select your file. A lot of graphical output will appear, and a text file (.txt
) containing a few tables will be created (concentrations, calibrations, LOD/LOQ; by analyte, by element, etc.).
v2
v2.4 (2021.09.08)
Raw.STD
is not included, Raw.RSD
is used instead (Raw.STD=Raw.Average*Raw.RSD/100
)v3 (2022.01.21)
linear_regression_chisq_fn.m
to avoid using functions form the statistic package. (original code is commented).