cheminfo / cheminfo/nmrium

Steps for automatic assignment

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#1,482 0 comments 0 reactions 1 assignee Claimed by @hamed-musallam View on GitHub
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Description

We would need various options that allows to test and debug the automatic assignment.

Above the table with the results we could add options

![image](https://user-images.githubusercontent.com/1484241/163850669-ed13958f-261e-4217-8795-9b9f122bf350.png)

- checkbox with nucleus / pulse sequence on 2 columns
- solvant / impurity suppression
- use predicted chemical shift

## checkbox with nucleus / pulse

This means that for the cytisine example we would have checkboxes with

1H / zg
1H,1H / cosy
1H,13C / hsqc
1H,13C / hmbc

Depending the options the corresponding ranges / zones will be send to the automatic assignment.

@jobo322 Could you take care that the prediction tool has the options to
- use or not predicted chemical shift
- suppress or not solvant / impurities

I would like to be able to ethylbenzene and ethyl vinyl ether to see all the possible assignment without taking into account the chemical shifts. Meaning for 1D only the integration.

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