pyMCR
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Corrected and added the indicators to determine the chemical rank
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"
Codecov Report
Merging #8 into 0.3.X will increase coverage by
0.73%
. The diff coverage is97.56%
.
@@ Coverage Diff @@
## 0.3.X #8 +/- ##
==========================================
+ Coverage 97.58% 98.32% +0.73%
==========================================
Files 13 13
Lines 1407 1429 +22
==========================================
+ Hits 1373 1405 +32
+ Misses 34 24 -10
Impacted Files | Coverage Δ | |
---|---|---|
pymcr/tests/test_rank.py | 100% <100%> (ø) |
:arrow_up: |
pymcr/condition.py | 100% <100%> (ø) |
:arrow_up: |
pymcr/rank.py | 92.68% <96.15%> (+33.3%) |
:arrow_up: |
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