unit test data

[tobiasko]

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:

• file header access
• scan data retrieval (profile or centroid mode)
• XIC generation
• m/z peak detection (profile data)

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

[tobiasko]

more unit test data

FUSION2.zip

files contain the following scan modes recorded on a FUSION using nanospray ionisation (no sample, just solvent):

ITMS + c NSI r Full ms2 [email protected] [150.0000-2000.0000]
FTMS + c NSI Full ms2 [email protected] [150.0000-2000.0000]
FTMS + p NSI Full ms2 [email protected] [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]