open-reaction-database / ord-schema

Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Improve definition of "amounts" for saturated solutions #605

Closed connorcoley closed 3 years ago

connorcoley commented 3 years ago

Saturated aqueous salt solutions are very commonly reported as just that. Rather than inferring the concentration based on room temperature solubility, we should consider whether there is a better way to handle this definition.

connorcoley commented 3 years ago

Potential solution: add an optional bool to the Amounts field that lets solutes have amounts defined as saturated.

More flexibly, we might want to address the cases where things are added in "catalytic amounts" or "in excess" where they are not actually measured. Or a titrated amount.

An enum field inside of the amount oneof kind containing UNSPECIFIED, CUSTOM, SATURATED, CATALYTIC, TITRATED

connorcoley commented 3 years ago

Naming is hard. unmeasured? qualitative? inexact ? indefinite ? imprecise ? Thinking out loud so we can return to this comment.