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datalab-org / datalab

datalab is a place to store experimental data and the connections between them.
https://docs.datalab-org.io
MIT License
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Synthesis include mol block #994

Open MJCliffe opened 1 week ago

MJCliffe commented 1 week ago

Would be good to have a moles column in the synthesis information section to make stoichiometry clearer. This could connect with molar mass information down the line too.

ml-evs commented 1 week ago

We discussed at some point adding a products section to the synthesis procedure (and I guess we can bake in multistep reactants/products much better with individual steps), but for now you can specify a unit of mol in the synthesis information right? We just don't use anything useful with it... Definitely this is something we should discuss/improve with a few of us (related issue: #442)

MJCliffe commented 1 week ago

I think we want both the mass and the moles: the mass is what we actually measure and the moles are what we impute.

A product box would be nice too: I guess it needs to be clear what goes in it rather than the box.

If there were a box where we can put in chemical formulae and then the moles could be directly calculated.

Some of this depends on the design of this section of course!