-
Notifications
You must be signed in to change notification settings - Fork 13
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
matchms_formatter only works when 'compound_name' is present #444
Comments
@chufz have you tried running matchms convert or filter on your inputs? that might help |
Yes i converted with matchms convert to the msp in matchms format in advance |
Okay - we can add an option to choose a different column |
|
@zargham-ahmad is this still the case? Didn't we include a key in the latest version? |
@hechth yes, this can be closed we added an optional key parameter in the latest version |
Currently, the formatter only works when compound_name is given. However, sometimes spectral similarity is calculated without known compounds, leading to the error message:
The text was updated successfully, but these errors were encountered: