Metrics data output
The output of a metrics file is trigged by the -x flag in RawTools.
Windows
>RawTools.exe -f [path to raw file to be analyzed] -x
Linux
$mono RawTools.exe -f [path to raw file to be analyzed] -x
MacOS
$mono RawTools.exe -f [path to raw file to be analyzed] -x
The output file should resemble the image below when opened in Excel.
The data values can be interpreted as described below.
| Name | Description |
|---|---|
| RawFile | Path to the raw file analyzed by RawTools. |
| Instrument | Name and type of mass spectrometer instrument as listed in the raw file. |
| Experiment Order | The highest scan level used in the analysis (e.g. data-dependent MS2 analysis will be listed as Ms2). |
| MS1Analyzer | The type of mass analyzer used for MS1 scan acquisition. |
| MS2Analyzer | The type of mass analyzer used for MS2 scan acquisition. |
| MS3Analyzer | The type of mass analyzer used for MS3 scan acquisition. |
| TotalAnalysisTime(min) | The length of the data acquisition in minutes. |
| TotalScans | The total number of scans present in the raw file across all levels. |
| MS1Scans | The number of MS1 scans present in the raw file. |
| MS2Scans | The number of MS2 scans present in the raw file. |
| MS3Scans | The number of MS3 scans present in the raw file. |
| MeanTopN | The mean number of dependent MS2 scans triggered per MS1 scan. This value is calculated as a mean based on all MS1 scans where an MS2 scan was triggered for dependent analysis in a given raw file. |
| MS1ScanRate(/sec) | The number of MS1 scans acquired per second across the entire acquisition. |
| MS2ScanRate(/sec) | The number of MS2 scans acquired per second across the entire acquisition. |
| MeanDutyCycle | The mean length of time required to complete a duty cycle - defined as an MS1 scan and all subsequent triggered dependent MS2 scans. This value is calculated as a mean based on all duty cycles within a given raw file. |
| MedianMS1FillTime | The median amount of time in milliseconds use to fill the mass analyzer with ions per scan across all MS1 scans. |
| MedianMS2FillTime | The median amount of time in milliseconds use to fill the mass analyzer with ions per scan across all MS2 scans. |
| MedianMS3FillTime | The median amount of time in milliseconds use to fill the mass analyzer with ions per scan across all MS3 scans. |
| MedianMS2Intensity | The median intensity of MS2 scans across the entire acquisition. |
| MedianPeakWidthAt10Percent(s) | The median peak width in seconds at 10 percent of the peak height. Calculated for all precursor peaks in the raw file. A precursor peak is defined as the peak for a precursor ion that triggered an MS2 scan. |
| MedianPeakWidthAtHalfMax(s) | The median peak width in seconds at 50 percent of the peak height. Calculated for all precursor peaks in the raw file. A precursor peak is defined as the peak for a precursor ion that triggered an MS2 scan. |
| MedianAsymmetryFactor | The median of peak symmetry measurements for all precursors observed in an acquisition. A precursor peak is defined as the peak for a precursor ion that triggered an MS2 scan. |
| Column Capacity | The calculated peak capacity of the chromatography column used during data acquisition. Peak capacity is calculated based on the peak width at 4-sigma height and the run length. |