List of possible inpout / ouput File Formats of dmfit program
This page is under construction....
Bruker Formats
Unix TopSpin
The XWinNMR files are stored in a hierarchical format
Name/ExpNb/pdata/ProNb
Acquisition parameters reside at the ExpNb level and dmfit uses the following :
- acqus acqu1s acqu2s acqu3s : the acquition parameters of 1D, 2D, 3D experiments
-
ser of fid : binary coded raw data (see below)
- pulseprogram audita.txt vdlist : text files relevant to the current experiment
they can be viewed from the "SpecParam" dialog by clicking the "Edit Param >>" button
Coding of the fid ser 1r 1i 2rr 2ri 2ir 2ii 3rrr... files
The binary coding is identified using the following 2 parameters:by the
-
BYTORDx : byte ordering (BYTORDA for acquistion in acqus, BYTORDP for processing in procs)
- 0 means no reordering for Windows machines
- 1 means data has to be swapped for a Windows machine
-
DTYPx : for the data type (DTYPA for acquistion and DTYPP for processing in procs)
- 0 or integer
: data are stored as integer
- 1 or float
: data are stored as float - this does not seem to be used by any Bruker software ?
- 2 or double
: data are stored as double precision
to my knowledge BYTORDA/P is only used with DTYPA/P integer...
WinNMR .fid .ser .1r .rr...
The WinNMR format is directly derived from the XWinNMR / TopSpin hierarchy by building a root name ExpNbProcNb and adding an extension :
acqus -> .aqs for 1D
procs -> .fqs for 1D
1r -> .1r for 1D
.fid -> .fid for 1D
ASPECT 3000 MSL
Spimpson .spe
Ascii .txt .ppm .hz
Core Scientific Ddata Format .csdf