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XMassFile Class Reference

File adapter for 'XMass Analysis (fid)' files. More...

#include <OpenMS/FORMAT/XMassFile.h>

Inheritance diagram for XMassFile:
ProgressLogger

Public Member Functions

 XMassFile ()
 Default constructor. More...
 
virtual ~XMassFile ()
 Destructor. More...
 
template<class PeakType >
void load (const String &filename, MSSpectrum< PeakType > &spectrum)
 Loads a spectrum from a XMass file. More...
 
template<class PeakType >
void importExperimentalSettings (const String &filename, MSExperiment< PeakType > &exp)
 Import settings from a XMass file. More...
 
template<typename SpectrumType >
void store (const String &, const SpectrumType &)
 Stores a spectrum in a XMass file (not available) More...
 
- Public Member Functions inherited from ProgressLogger
 ProgressLogger ()
 Constructor. More...
 
 ~ProgressLogger ()
 Destructor. More...
 
 ProgressLogger (const ProgressLogger &other)
 Copy constructor. More...
 
ProgressLoggeroperator= (const ProgressLogger &other)
 Assignment Operator. More...
 
void setLogType (LogType type) const
 Sets the progress log that should be used. The default type is NONE! More...
 
LogType getLogType () const
 Returns the type of progress log being used. More...
 
void startProgress (SignedSize begin, SignedSize end, const String &label) const
 Initializes the progress display. More...
 
void setProgress (SignedSize value) const
 Sets the current progress. More...
 
void endProgress () const
 Ends the progress display. More...
 

Additional Inherited Members

- Public Types inherited from ProgressLogger
enum  LogType { CMD, GUI, NONE }
 Possible log types. More...
 
- Static Protected Member Functions inherited from ProgressLogger
static String logTypeToFactoryName_ (LogType type)
 Return the name of the factory product used for this log type. More...
 
- Protected Attributes inherited from ProgressLogger
LogType type_
 
time_t last_invoke_
 
ProgressLoggerImplcurrent_logger_
 
- Static Protected Attributes inherited from ProgressLogger
static int recursion_depth_
 

Detailed Description

File adapter for 'XMass Analysis (fid)' files.

XMass Analysis files is native format for Bruker spectrometer Flex Series.
Each spectrum are saved in one directory. Each directory contains several files. We use 2 files for import in OpenMS :
acqus : contains meta data about calibration (conversion for time to mz ratio), instrument specification and acquisition method.
fid : contains intensity array. Intensity for each point are coded in 4 bytes integer.

Note
MZ ratio are calculated with formula based on article :
A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls
Mark K Titulaer, Ivar Siccama, Lennard J Dekker, Angelique LCT van Rijswijk, Ron MA Heeren, Peter A Sillevis Smitt, and Theo M Luider
BMC Bioinformatics. 2006; 7: 403
http://www.pubmedcentral.nih.gov/picrender.fcgi?artid=1594579&blobtype=pdf

Constructor & Destructor Documentation

XMassFile ( )

Default constructor.

virtual ~XMassFile ( )
virtual

Destructor.

Member Function Documentation

void importExperimentalSettings ( const String filename,
MSExperiment< PeakType > &  exp 
)
inline
void load ( const String filename,
MSSpectrum< PeakType > &  spectrum 
)
inline
void store ( const String ,
const SpectrumType &   
)
inline

Stores a spectrum in a XMass file (not available)

Exceptions
Exception::FileNotWritableis thrown

OpenMS / TOPP release 2.0.0 Documentation generated on Wed Mar 30 2016 16:18:47 using doxygen 1.8.5