Added a mass spectra hash (splash) converter #107
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Mailaender
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The CI is failing. Could you have a look at that issue? |
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This is fixed now. |
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This is using @berlinguyinca's Java reference implementation. So far, I have not managed to get a hit on @MassBank even when querying their database entries loaded into OpenChrom. Some distortion seems to take place that I am unaware of. Another caveat is that it is quite hidden and requires exporting into files instead of just copying it to the clipboard so there is room for future improvement.
Closes eclipse/chemclipse#567. Depends on OpenChrom/openchrom3rdpl#11.