Corrected and added the indicators to determine the chemical rank#8
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sshojiro wants to merge 15 commits intousnistgov:0.4.Xfrom
Open
Corrected and added the indicators to determine the chemical rank#8sshojiro wants to merge 15 commits intousnistgov:0.4.Xfrom
sshojiro wants to merge 15 commits intousnistgov:0.4.Xfrom
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Also added TODOs for future correction
Added its test to validate the length of the computed vector
Renamed clearer variables
Implemented the tests for the length of IND and ROD functions
PCA computation and RSD computation reduce the rank of the spectra by one respectively
Eliminated the needless path manipulation
Corrected the indicators for determination of the chemical rank
Resolved a conflict.
Codecov Report
@@ Coverage Diff @@
## 0.3.X #8 +/- ##
==========================================
+ Coverage 97.58% 98.32% +0.73%
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Files 13 13
Lines 1407 1429 +22
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+ Hits 1373 1405 +32
+ Misses 34 24 -10
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Formerly, I have added indicators that can determine the chemical rank based on spectral data. However, I have found mistakes in both the original definition in the reference and my implementation. I corrected the IND indicator, following another reference[1].
Along with the correction of the implementation, I have added some documentation on the methods and test code. Please check the compatibility with your repository.
Thanks in advance!
[1] "An automated procedure to predict the number of components in spectroscopic data"