Perhaps I'm overlooking something, but I can't find anywhere in the results tables mass accuracy reporting in ppm.
The difference in mass between the measured peaks and the theoretical mass of the assigned identification is typically expressed as ppm mass accuracy. It is calculated as (theoretical m/z value - experimental m/z value / theoretical m/z value) * 10^6.
This is a commonly used and useful metric to asses the quality of identifications. I know the maximum allowed mass deviation of the identifications can be set during the new project wizard, but it would still be nice to see actual ppm for the reported identifications in the results table.
Perhaps I'm overlooking something, but I can't find anywhere in the results tables mass accuracy reporting in ppm.
The difference in mass between the measured peaks and the theoretical mass of the assigned identification is typically expressed as ppm mass accuracy. It is calculated as (theoretical m/z value - experimental m/z value / theoretical m/z value) * 10^6.
This is a commonly used and useful metric to asses the quality of identifications. I know the maximum allowed mass deviation of the identifications can be set during the new project wizard, but it would still be nice to see actual ppm for the reported identifications in the results table.