tobiasko
commented
5 years ago more unit test data
files contain the following scan modes recorded on a FUSION using nanospray ionisation (no sample, just solvent):
ITMS + c NSI r Full ms2 445.1100@hcd30.00 [150.0000-2000.0000] FTMS + c NSI Full ms2 445.1100@hcd30.00 [150.0000-2000.0000] FTMS + p NSI Full ms2 445.1100@hcd30.00 [150.0000-2000.0000] ITMS + c NSI Full ms [300.0000-2000.0000] ITMS + p NSI Full ms [300.0000-2000.0000] FTMS + c NSI Full ms [300.0000-2000.0000] FTMS + p NSI Full ms [300.0000-2000.0000] FTMS + c NSI SIM ms [435.1100-455.1100] FTMS + p NSI SIM ms [435.1100-455.1100]
I created some raw files that could be used for unit testing.
a) Calibration mix recording on a FUSION (profile & centroid mode) using direct infusion (no LC seperation!)
Pierce LTQ Velos ESI Positive Calibration Solution, Product number: 88323 product homepage Certificate of analysis
Could be used to test basic functions like:
FUSION1_calMix.zip
MSScan_Orbi_centroid.raw contains 50 scan of type FTMS + c ESI Full ms [150.0000-2000.2000]
scan #50 looks like this in FreeStyle 1.4 (uses RawFileReader)
The file header contains FileHeader_MSScan_Orbi_centroid.txt
The profile mode file is structured accordingly and displays like this for scan 2