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Upload Data Error #78

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qaporter opened this issue Apr 18, 2019 · 1 comment
Closed

Upload Data Error #78

qaporter opened this issue Apr 18, 2019 · 1 comment

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@qaporter
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qaporter commented Apr 18, 2019 •
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Upload Data
Upload Data

Hi, I am trying to use to predret to predicted retention time, but I am having a problem uploading the data.
@stanstrup
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Thanks. Sorry for the long response time. It is vacation time here.
The problem is that the pubchem API changed so predret cannot pull the structure. If instead you put in the inchi manually it should work.
Same as #72

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@stanstrup @qaporter