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qcxms / QCxMS

Quantum mechanic mass spectrometry calculation program
https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms.html
GNU Lesser General Public License v3.0
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fragmentation from ESI-MS #70

Closed registerme1963 closed 1 year ago

registerme1963 commented 1 year ago

I am learning ECxMS. What are the two parameters when using 'gauss' keyword. regards

JayTheDog commented 1 year ago

For learning QCxMS, please refer to the detailed online manual: https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms_run.html