Hi Trig,
you are free to store the raw data e.g. in binary format - just
create your own specification.
Most commonly, TOF data file do store the intensities only and the
information of the start time of the measurement a the delta time to
record the intensities. Furthermore, the calibration is needed too
to calculate the correct m/z value from each time-of-flight.
As I assume, one scan contains ~200000 measured ions respectively
intensities?
Do you record a chromatogram as known from GC/TOF or do you record
independent scans as known from MALDI-MS?
How long does it take to record one scan?
OpenChrom offers several ways to read/write binary data. So it's
easy to read the binary format into a valid mass spectrum then. E.g.
have a look how the chromatograms are stored in *.ocb format. This
is located in the bundle:
org.eclipse.chemclipse.xxd.converter.supplier.chemclipse
You can create your own model for your specific TOF instrument, e.g.
like:
org.eclipse.chemclipse.msd.converter.supplier.chemclipse.model.chromatogram.VendorChromatogram
org.eclipse.chemclipse.msd.converter.supplier.chemclipse.model.chromatogram.VendorScan
org.eclipse.chemclipse.msd.converter.supplier.chemclipse.model.chromatogram.VendorIon
If you're unsure how to do it, I could create the necessary classes
in your plugin so that you then can start implementing the
functionality.
Best,
Philip
Am 01.07.2016 um 16:51 schrieb Trig
Chen:
Hi Philip,
I think I can store the calculated Ion in one ScanMSD, but
first I must find a place to store my raw data from
acquisition card of TOF mass spectrameter. The raw data is a
serie of time(in nanoseconds) - intensity. ChromatographMSC
can only store ScanMSD, not time-intensity serie.
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