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Overview of all the instruments and MS file types that can be handled by the database application. |
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| Equipment |
Type |
File names |
File content |
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| Ultraflex ™ MALDI-TOF (Bruker Daltonics) |
fid |
fid, acqus, acqu |
raw binary data, calibration constants |
| text |
*.txt |
mass and intensity peak list, space or tab separated |
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| APEX-Q 9.4T MALDI-FTICR (Bruker Daltonics) |
fid |
fid, acqus, acqu |
raw binary data, calibration constants |
| text |
*.txt |
mass and intensity peak list, space or tab separated |
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| xml |
exportedSpectrum.xml |
<pk mz="mass1" i="intensity1"/> |
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| Off-line LC-MALDI (TOF/TOF) (file-export WARP-LC™ software, Bruker Daltonics) |
text |
*.txt |
mass, intensity and Retention time peak list, space or tab separated data |
| xml |
*.xml |
<Compound mass="mass1" RetentionTime="retentiontime1" AbsoluteIntensity="intensity1"> </Compound> |
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The database application is written in Java and R and uses a MySQL™ database. The files types may consist of 1) raw binary MS spectra (the fid files), 2) exported peak lists containing tab or space separated masses and corresponding intensities, and 3) XML files. | |||
Titulaer et al. BMC Bioinformatics 2008 9:133 doi:10.1186/1471-2105-9-133 |
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