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Fix stable IsotopeQuantity #339

Merged
merged 8 commits into from
May 16, 2022
Merged

Fix stable IsotopeQuantity #339

merged 8 commits into from
May 16, 2022

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jvavrek
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@jvavrek jvavrek commented May 2, 2022

Fixes the sub-issue in #325 where we were getting nan for a mass of a sample. The issue was with how stable isotopes were handled in the various mass/activity/atoms conversions.

Coauthored with @cosama

@jvavrek jvavrek requested a review from cosama May 2, 2022 21:56
@@ -12,7 +12,12 @@
{
"cell_type": "code",
"execution_count": 1,
"metadata": {},
"metadata": {
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Can you clean up the notebook? I think you need to run something like:

jupyter nbconvert --ClearMetadataPreprocessor.enabled=True isotopes.ypynb

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jupyter nbconvert --ClearMetadataPreprocessor.enabled=True --to notebook isotopes.ipynb

@jvavrek jvavrek merged commit 1758ebb into main May 16, 2022
@jvavrek jvavrek deleted the fix-stable-isoqty branch May 16, 2022 19:35
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2 participants