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Add test for expected failures #12

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lparsons opened this issue Apr 27, 2018 · 0 comments
Open

Add test for expected failures #12

lparsons opened this issue Apr 27, 2018 · 0 comments

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@lparsons
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Test for unsupported conditions and data that violates assumptions, including:

[ ] Missing columns (forumula, compound, isotopelabel, missing samples)
[ ] Extra columns that aren't sample columns
[ ] Unsupported isotopes (e.g. S)
[ ] Invalid isotope labels (e.g. double labeled C13D-label-5-6)
[ ] Multiple peak groups for single compound
[ ] Missing/invalid resolution, resolution_defined_at
[ ] Invalid purity
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@lparsons