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The Gifa v4.2 program is a software meant for processing and
analysis high resolution NMR spectra, in 1D, 2D and 3D.

It includes :

Classical processing includes :
o Full capabilities in 1D, 2D and 3D processing.
o Full array of apodisation functions (shifted sine-bells and 
  squared sine-bells; exponential; Gaussian; trapezoid, and 
o Fast Fourier transform (direct and inverse; real, complex, 
  and hypercomplex). Hilbert transforms.
o Zero-filling and truncation.
o Phasing of 1D, 2D and 3D spectra.
o Processing in memory (for regular data size) or on disk (for 
  very large data-set) with similar syntaxes
o Non-limited size data-set with optimised file access 
o Very fast processing : (figures not garantied)
	* 15.5" on SGI INDY PC (100MHz)
	* 12.6" on IBM Risc 6000-560
	* 12.3" on SUN Sparc 20
	* 10.5" on SGI INDY (174MHz)
	* 10"  on HP 715/80
	* 9.5" on PC Pentium 133MHz Linux
	* 7.5" on HP 735/99
	* 6.5" on SGI-O2 R5000-PC 
	* 5.06" on Pentium Pro 200 Linux
	for the complete processing of a 512x2048 data points data-
	set, including :
	-exponential windowing in F2, shifted sine bell in F1.
	-hypercomplex FT with zero-filling in F1 and phasing in both axes.
	-cubic spline baseline correction through 5 points in F2.

o Post-processing filters; module, real part extraction,
  absolute value, smoothing, etc...
o Complete baseline correction module (linear, cubic spline 
  correction, and a comprehensive polynomial module with 
  automatic peak detection).
o Extraction of sub-spectra for local processing.
o Simulation of pseudo data-sets. Simulation of 2D NOESY from 
  intensity files (CORMA type)
o Addition, multiplication of data-sets.

Graphic capabilities
o 2D Displays in -density mode -contour mode -stacked plot mode
o 3D Display in 3D perspective
o Random access to rows, columns, diagonals or projections in 
  2D mode.
o Random access to planes and rows in any direction or diagonal 
  in 3D mode.
o Multi-windowing facilities : up to 4 active windows in the 
  same time, many passive windows.
o Fast zoom mode - Fast interactive phasing mode.
o Complete plotting facilities. On screen : 1D plots; 2D : full 
  colours density maps, zoom, contour plots and stacked plots; 3D 
  : automatic series of 2D plots, 3D graphics. All 1D, 2D and 3D 
  graphics may be sent to a plotter (HP-plotter or PostScript 
  laser printer). Several plots may be disposed on the same sheet 
  of paper, and plot files can be stored separately.

Special processing includes :
o A protein assignment module is available for 2D homonuclear spectra.
  Completely written in the macro language.
o Maximum Entropy processing of 1D as well as 2D data-sets. A 
  generalised iteration scheme, (Gifa stands for Generalised 
  Iterative Fixed-point Algorithm) as well as more classical 
  algorithms : Gull & Daniel, conjugated gradients.
o Maximum Entropy deconvolution of Lorentzian line-shape, of J-
  coupling pattern, or of any user-provided function.
o Comprehensive Linear Prediction module, including Burg, LP-
  SVD, forward and backward methods, etcÉ
o Processing of DOSY experiments,using the Maximum Entropy technique.
o Integrated processing of NOESY build-up curves, permitting to 
  accurately evaluate distances.
o Automatic peak-picker in 1D 2D and 3D; Automatic peak 
  integrator in 1D and 2D.
o Line fitting of mixed Lorentzian and Gaussian Line Shapes
o Several file formats are available, notably a FT-NMR(tm) 
  compatible format, a MATLAB(tm) compatible format, a compressed 
  format, a generic file format, permitting direct random access, 
  and several others.

A Complete set of Macro :
o A complete graphic user interface written in the macro 
o Calibration, integration, peak-picking, etc..
o Fast interaction with the mouse on 2D and 3D
o Help for attribution, on screen and on plotter
o Easily extensible with the control language

The User Interface is characterised by :
o Most command are available through a graphic interface
o Interactive commands for beginners as well as fast entry mode 
  for advanced users
o Complete on-line HELP.
o Comprehensive manual.
o Versatile command parser which permits to build macro 
  commands with alias, tests, local and global variables, loops, 
  graphic interaction and display capabilities, support for data-
  bases and associative arrays.
o graphical interface completely modifiable and definable by 
  the user.
o Possibility to run in interactive mode as well as Batch mode 
  (display less).
o The operating system is fully available from Gifa.
Modified: Wed Jul 16 16:00:00 1997 GMT
Page accessed 7870 times since Sat Apr 17 21:24:46 1999 GMT