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open-reaction-database / ord-interface

Search/browse interface and APIs for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Reaction yield greater than 100% #65

Closed FanwangM closed 1 year ago

FanwangM commented 1 year ago

Theoretically speaking, the percent reaction yield is supposed to be no more than 100%. However, due the impurities and measurement errors, it can go above 100%, e.g. https://open-reaction-database.org/client/id/ord-0624d5800c4b4df5ab74722e43784236#provenance. (I tried to look at the data from https://github.com/nsf-c-cas), but I was not able to find the right data source.

I am keeping this "problem" untouched for now. But please let me know if you have a different opinion. Thanks. @skearnes @connorcoley

connorcoley commented 1 year ago

Does this actually create a conflict with other aspects of the system, e.g., a validation error?

FanwangM commented 1 year ago

No, everything works well. It passed the validation checking in validations module.

connorcoley commented 1 year ago

I believe that since the ORD is meant to capture what was performed & measured, it's okay if a reported yield exceeds 100%. We know there is error/uncertainty associated with all of these calculations

FanwangM commented 1 year ago

This makes sense as ORD is designed to be a source of truth. I am going to close this issue for now.