Drag&Drop folder to left are in Peaklist Selection does not work about farseer-nmr HOT 8 CLOSED

(sorry incomplete description)

And nothing appears in the left panel area.

from farseer-nmr.

from farseer-nmr.

find the peaklist here
https://pastebin.com/uG5XZUW8

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The file won't be parsed as it doesn't have the Number column in it. I've tried to be strict with parsing of files and CCPN peaklists normally have Number as the first column header. I can loosen the parsing if required. What do you think?

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The issue is different even.
The peaklist has generated by my Farseer_artificial_dataset_generator.py script.
It has de Number column, but columns are not sorted the same as CCPNMR.
Because Farseer parses column with pandas Dataframe based on .loc operation column sorting is not important.

Question:

Do you want to keep strick to the column order so that it becames compatible to your parsing scripts or do you prefer to loosen the parsing on the column order/sorting? If you want to be strick to the initial column order I just have to change the Farseer_artificial_dataset_generator.py, and that's it.

On the other hand, regardless of the answer to the above question, I think that the number and nature of columns should be kept strick.

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I agree that we should keep column ordering strict and it's simpler to change the artificial dataset generator so that columns are in the same order as CCPNMR. That also means that we can state in documentation that we use official formats when parsing data.

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agree,
I will change the generator accordingly

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Excellent, we can close this then :-)

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