SE.M

MATLAB toolbox for plotting, processing and fitting 7NMR files. The whole toolbox consists of two m files, SE.M and FIKUS.M. Most of the toolbox features can be accessed from an easy to use GUI. In addition, all data and functions are easily accessed from MATLAB command line and from MATLAB programs.

WARNING: about 2% of this manual is written as of 2011-01-19 17:43:03

This documentation is available at http://www.ijs.si/ijsw/TomazApih/Software/SE .

Send comments, feature requests and bug reports to tomaz.apih@ijs.si.

Usage

Initialization

To initialize some local variables, start with se ini or se('ini'). At that that point, two global variables are created:

FID holds all mesurement data (FIDS and spectrums)
SEP holds all settings data

Command list

only a short bit is written here, so far

Initialization

COMMAND	DESCRIPTION
`SE INI`	initialize SE session, a "FileOpen" dialog to load a FID will open
`SE INI filename.dat`	initialize SE session and load filename.dat (not yet)
`SE HELP`	show short help
`SE DOC`	open this documentation

File reading command

COMMAND	DESCRIPTION
`SE RE filename.dat`	read FID stored in filename.dat
`SE RE file*.dat`	-
`SE REZ file*.#`	-
`SE RET file#-K-*.dat`	-
`SE RESDF file.sdf`	Read Stelar field cycling SDF files
`SE SAVE data.mat`	Save all loaded signals (all zones) in a single file
`SE LOAD data.mat`	Load previously saved dataset

SE etc etc many more

Plotting

To show one FID signal and corresponding spectrum, use SE DR command. The main SE window will be opened with signal, spectrum and parameters displayed.

COMMAND	DESCRIPTION
`SE DR 1`	draw first FID signal
`SE DR 5`	draw fifth FID signal
`SE DR +`	draw next signal
`SE DR -`	draw previous signal
`SE CLOSE`	close DR window

Working with ZONEs

Like in twilight zone, this adds another dimension to our data. A nice description comes here.

COMMAND	DESCRIPTION
`SE ZONE 1`	Select first Zone
`SE ZONE +`	Select next Zone
`SE ZONE -`	Select previous Zone

(temporary)

SE FT: do FT
SE PH ph0 ph1: input phase correction constant ph0 and ph1 (0th and 1st order)
SE SORT TAU: sort data on TAU parameter
SE SORTM ITC_R0: sort data on ITC_R0 (usually set temperature) parameter, highest T first
SE SET: ... set DIR etc
SE OPT: ... show or modify options
SE DI: ... dir
SE DIR: ... open side DIR list, interactive loading
SE USER: ... I forgot
SE GETINT: ... integrate
SE SYM: symmetrize spectra
SE SHIFT: shift something, obviously
SE FITSPC: fit spectra
SE FITSORE: etc
SE FIT*G: funny
SE FIT*L: funny
SE FIT**: funny
SE FT*A: funny
SE FT*E: funny
SE FT*R: funny
SE PHASE: phase, obviously

Examples

Par primerorov, kako avtomatiziramo obdelavo signalov, etc

   1 % naloži vse
   2 % OBDELAVA SPEKTROV, Naloži v vse zone
   3     se ret LZBH-tdep-Li-T1-#K-*.DAT
   4     
   5 %% Obdelaj vse FT
   6     for i = 1:SEP.Zones
   7         se('ZONE',i);   % izberi zono
   8         se('dr',100);   % izberi najdaljsi TAU
   9         se FT*A         % phase correction for the selected zone
  10         se getint       % integriraj
  11         fikus t1        % fitaj s funkcijo T1
  12         fikus plot      % nariši rezultat
  13         fikus t1_1:1    % fitaj z dvokomponentno funkcijo
  14         fikus plot 3    % doriši še ta rezultat
  15         print('-dpng', ['.\R-001\Li_T111-' int2str(i) '.png']) % shrani sliko fita
  16     end

SE Parameters

SE parameter are stored in SEP global variable. it has the following structure

SEP = 
         sename: 'se'
             se: @se
        Version: 'SE v0.16j'
    Initialized: 1
           Mode: 'none'
       FileType: '7NMR'
    FileOpenErr: 0
             FT: [1x1 struct]
            CUR: [1x1 struct]
            OPT: [1x1 struct]
           OptB: [1x1 struct]
              h: [1x1 struct]
            Fit: [1x1 struct]
        DataDir: 'C:\Users\Tomaz\Documents\MATLAB\tmp-data\'
             NN: 31
              i: 1
          Zones: 35
           Zone: 35
        ZoneNew: 0
       FileMask: 'LZBH-tdep-Li-T1-400K-*.DAT'
       Files_RE: 0
       ZoneMask: 'LZBH-tdep-Li-T1-#K-*.DAT'

SEP.FT
ans = 
      SI: 2048
     SHL: 48
    SHLA: 0
     HPP: 0.4883
      BC: 512
      LB: 0.2000
     PHA: 0
    PHAA: 0
     PH0: 130.4079
     PH1: 0
     PIV: 0
    PH1s: 1
     FRI: 1
     mBC: 0.0013 + 0.0009i
      SW: 1000
     Frq: [1x2048 double]
     Spc: [2048x1 double]
       i: 31