Open ahi-ed opened 2 years ago
Cheers on including the warning, is actually quite a useful one. Could you also provide a single measurement where this occurs?
Which file would you like me to upload? A single measurement (format mzxml) provides the following error;
Yeah, it won't allow it on here because of the size, but you can send me a single mzXML that shows the problem (through a specialized service) to my regular mail.
Issue has been solved in latest commit on the branch, leaving issue open until the 11th of February to ensure that there are no remaining issues.
Describe the bug If program runs through Python 3 (product version 3.8.2) the output values are incorrect for mass accuracy (all analytes contain value -10000). The error message in the prompt window "Analyte: xx is being troublesome, kill it". Error in place since the update from Python2 to Python3. Suspect that a function that required an integer parameter was called with a floating point number needs to be updated. Finally, the self.version build number should be updated (it is not updated and is now a duplicate).
To Reproduce Steps to reproduce the behavior: Python product version 3.8.2
Expected behavior Expect ppm values of minus and plus to be calculated.
Screenshots
![image](https://user-images.githubusercontent.com/99261669/152995646-128d6079-927e-4343-9b7d-10841deb04df.png)
Desktop (please complete the following information):![image](https://user-images.githubusercontent.com/99261669/152996027-66749a95-1b5a-4b8a-b5cf-f63b01f8d792.png)
Smartphone (please complete the following information):
Additional context When Python 3 (product version 3.7.3) is used, a warning is produced; "<class 'numpy.float64'> cannot be safely interpreted as an integer." Python product version 3.7.3