[FEATURE] - Force annotation of particular formulas / set formula selection criteria

[mjacksonhill]

Feature Description:

Allow forcing selection of a formula for further annotation, and/or allow advanced filtering options for formula selection for further annotation.

Use Case / Problem Description
This feature shares a lot of overlap with #224. Very frequently, SIRIUS chooses a formula for further annotation based off criteria that I do not understand. It would be excellent to be able to force fingerprinting/further annotation of particular spectra directly, or to have advanced filtering options in order to manually specify the criteria for formula selection (e.g. top sirius/zodiac score, ppm thresholds, tree score, etc.). See attached image-- I cannot figure out why this fluorine-containing formula has been selected when it is seemingly not the top choice from any category.

Benefits
This would dramatically increase the usefulness of the software- for these compounds, which make up a significant proportion of my data, SIRIUS predictions are essentially unusable beyond the fragmentation tree and formula.

Related Issues

See #224