Out of 84 assorted WIFF files that I have sitting around for testing purposes, only 6 have pressure traces. In these cases, pressure is always the first channel, and pressure always appears in the channel name, but 6 is an awfully small set to make a heuristic with. One file has both loading pump pressure and gradient column pressure: which one is desired?
50uMpyrone-8uL-01 (channel 1, Agilent Pump - Agilent Pump Pressure (0))
GlycyrrMRM-Blank (channel 1, AAO Companion App. - Pump_Pressure)
GlycyrrMRM-Blank (channel 2, AAO Companion App. - UV_VIS_1)
GlycyrrMRM-Blank (channel 3, AAO Companion App. - UV_VIS_2)
HLAI-ACD 023 NewMethod2 Inj4 (channel 1, AAO Companion App. - MicroPump_Pressure)
Hoofnagle_01_IDA (channel 1, AAO Companion App. - Loading Pump Column Pressure)
Hoofnagle_01_IDA (channel 2, AAO Companion App. - Loading Pump Pump A Flowrate)
Hoofnagle_01_IDA (channel 3, AAO Companion App. - Loading Pump Pump B Flowrate)
Hoofnagle_01_IDA (channel 4, AAO Companion App. - Gradient 1 Column Pressure)
Hoofnagle_01_IDA (channel 5, AAO Companion App. - Gradient 1 Pump A Flowrate)
Hoofnagle_01_IDA (channel 6, AAO Companion App. - Gradient 1 Pump B Flowrate)
KIT1-30-3_105905_01_0_1_1_01_10000001 (channel 1, Agilent Pump - Agilent Pump Pressure (0))
RMMS11b (channel 1, Capillary Pump - Pressure)
RMMS11b (channel 2, Capillary Pump - Flow)
RMMS11b (channel 3, Capillary Pump - B)
The Agilent MIDAC and MHDAC APIs don't have a way that I can see to get pump pressure, but many other MS-specific variables are available. Some of my example files do have files like QuatPump1 and NanoPump1 with cd and cg extensions which appear to be metadata and array files in some binary format. It probably wouldn't be too hard to read these arrays, but it would be rather hacky.
Thermo RAW files often have the LCD pump/autosampler methods embedded in them, and like Agilent have many MS-specific variables available in the "Status Log", but I don't see a way to get pump pressure.
Waters RAW has MS-specific variables stored for each scan time, but no pump pressure as far as I can tell.
Shimadzu QTOF has neither MS-specific variables or pump pressure as far as I can tell.
The most recent Bruker TIMS data Stephanie sent us has chromatography-data.sqlite files which contain pump pressure. Actually 2. What to do with A and B pressures?
Flowsensor A Flow
Pump A Pressure
Pump A Speed
Pump A Temperature
Pump A Volume
Valve A Angle
Solvent B Composition
Flowsensor B Flow
Pump B Pressure
Pump B Speed
Pump B Temperature
Pump B Volume
Valve B Angle
Valve I Angle
Valve T Angle
Sample Tray Temperature
So, assuming we go forward with just Sciex and Bruker pressure traces, shall I use the simple heuristic of taking traces which have "pump" and "pressure" in the name? What to do when there are multiple matches (e.g. Pump A and B pressure)?