Further Analysis - Githubissues

Waztom / xchem-CAR

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Further Analysis #55

Open bluemoon-123 opened 3 years ago

bluemoon-123 commented 3 years ago

Give the user options of what analytical technique they would like us to run for their compounds. Can we give them the option of NMR: which nuclei, 1D or 2D, which solvent. These could all be options. Maybe but this on the front page (see image) Screenshot 2021-08-16 164108

bluemoon-123 commented 3 years ago

*put

Waztom commented 3 years ago

Specifically, add options for LCMS and NMR for post synthesis
Another consideration is the amount of choice for individual targets, especially re selecting NMR options (Proton, C13, CH corr etc) and potentially different LCMS methods
How do we deal with multi-step reactions? The user may want NMR for the final prod and LCMS for the intermediate reactions -> needs some thought re UI frontend design