ScanRead Ver. 3.51
Copyright (C) 1999 by Ken Ritley.
All rights reserved.
Release date: October 10, 1999

For information about data analysis
programs for the Unix operating system,
check out CPLOT at www.certif.com.

For the Windows95 operating system
more information about outstanding,
high-quality scientific graphics
software such as Microcal Origin can
be obtained from www.microcal.com.



USING SCANREAD WITH MICROCAL ORIGIN

ScanRead can be made to function transparently and seamlessly with
Microcal Origin, as if it were part of Microcal Origin itself.  This
is very convenient for data analysis, since scans can be selected,
plot very quickly, then imported into Origin and analyzed with just
a few keystrokes.

The default location for scans extracted by ScanRead is c:\spectemp.dat.  
This makes it easy to write Microcal Origin macros to read and analyze
Spec scans.

This file describes how to use ScanRead transparently as a menu option
with Microcal Origin.  This can be accomplished in just two easy
steps:

	1. Modify the Origin file called FULLMENU.CNF, to tell Origin to
	create the new menu entries for SpecRead and for importing
	the data files.

	2. Add a new macro file called SCRIPTS.OGS to the Origin
	directory, which contains the special macros to run SpecRead
	and to import (and format) the Spec scans.

The rest of this file contains the necessary modification which should
be appended to FULLMENU.CNF, as well a sample SCRIPTS.OGS file.  This
latter file contains some sample macros in addition to those required
by ScanRead, in order to illustrate the simplicity and power of
writing macros for Microcal Origin.



STEP ONE:  Append the following code to the Microcal Origin file called
FULLMENU.CNF.  This defines a new menu with all the Spec importing and
analysis options.



////////////////////////////////////////////////////////////////////////////////
// Append this file to the end of your existing FULLMENU.CNF file!
////////////////////////////////////////////////////////////////////////////////


////////////////////////////////////////////////////////////////////////////////////
// Custom X-RAY menu by Ken Ritley
////////////////////////////////////////////////////////////////////////////////////

menu -wmg;
menu 14 (&X-Ray)
menu "&Select SPEC file" {
	run.section(scripts.ogs,SPECSelect)
}
menu "&Import SPEC file" {
	run.section(scripts.ogs,SPECImport)
}
menu "&Import Specific SPEC file" {
	run.section(scripts.ogs,SPECSpecificImport)
}
menu "Import &PSD matrix" {
	run.section(scripts.ogs,SPECPSDImport)
}

menu;
menu "&Analysis: Diffuse" {};
menu "&Analysis: Specular" {};
menu "&Resolution Correction" {};
menu "&DSpacing" {
	run.section(scripts.ogs,DSpacing)
}
menu;
menu "&Statistics" {
	run.section(scripts.ogs,MaxAndMin)
}
menu "&Normalization" {
	run.section(scripts.ogs,Normalize)
}
menu "&Scale" {
	run.section(scripts.ogs,Scale)
}
menu "&Shift" {
	run.section(scripts.ogs,Shift)
}
menu;
menu "&About" {
	run.section(scripts.ogs,XRAYAbout)
}




STEP TWO.  Create the file called SCRIPTS.OGS in the Microcal
directory.  A sample file, with some extra features, appears
here as an example:

//
// SCRIPTS.OGS
//
// Ken Ritley
// November 30, 1998
// Max-Planck-Institut fuer Metallforschung
// Abteilung Dosch
// Heisenbergstrasse 1
// D-70569 Stuttgart
// k-ritley@dxray.mpi-stuttgart.mpg.de
//
// This is a script file which contains the scripts which are bound
// to the XRAY menu items.  See the file FULLMENU.CNF for details.





[SPECSelect]

run -e "c:\origin50\scanread.exe";





[SPECImport]

open -w c:\spectemp.dat;
for(i=1;i<wks.ncols+1;i+=1){
   %k=wks.col$(i).label$;
   if (%k=="") {}
   else wks.col$(i).name$="%k";
};
wks.labels(0);
window -ra;




// K. Ritley, 11.3.99 to import a specific ScanRead-extracted
// file

[SPECSpecificImport]

getn
(File) %%A
(Import ScanRead file);

open -w %%A ;
for(i=1;i<wks.ncols+1;i+=1){
   %k=wks.col$(i).label$;
   if (%k=="") {}
   else wks.col$(i).name$="%k";
};
wks.labels(0);





[SPECPSDImport]

open -w c:\psdtemp.dat;
//for(i=1;i<wks.ncols+1;i+=1){
//   %k=wks.col$(i).label$;
//   if (%k=="") {}
//   else wks.col$(i).name$="%k";
//};
wks.labels(0);



//
// Added on March 4, 1999 by K. Ritley.
// This script first assumes the user has selected a column
// which contains the 'two-theta' scattering angles, then
// prompts the user for a x-ray wavelength, and finally
// generates a new column (DSpacing) which is the d-spacing
// which corresponds to the 2-theta value in the selected
// column.  Assumes selected column in degrees, wavelength
// and d-spacing in Angstroms.  Values from Warren.
//

[DSpacing]

/* Make sure user has selected a column */

if (wks.sel==0)
{	
	type -b "You must first select a column!";
	break 1;
}


/* Get desired wavelength from the user */

i=1; j=1; k=0;
%B = "Cu Mo Co W";	/* a drop down list with three entries */
%L = "alpha1 alpha2 <alpha> beta Kedge Lalpha1 LIIIedge";	/* a drop down list with three entries */
getn
(Anode)  i:B 		/* use %B as the list items */
(Spectral Line)  j:L 	/* use %B as the list items */
(Other)  k:2s 		/*show remaining items only if k = 1 (checked) */
(Wavelength (Å))  wave 	/* an ordinary variable */
(Select Wavelength); 	/*  end of getnumber */

if (k==0 && i==1 && j==1) {wave=1.54051}; // K-alpha1
if (k==0 && i==1 && j==2) {wave=1.54433}; // K-alpha2
if (k==0 && i==1 && j==3) {wave=1.54178}; // K-alpha-bar
if (k==0 && i==1 && j==4) {wave=1.39217}; // K-beta
if (k==0 && i==1 && j==5) {wave=1.38043}; // K-edge
if (k==0 && i==1 && j==6) {wave=13.357};  // L-alpha1
if (k==0 && i==1 && j==7) {wave=13.2887}; // Liii-edge

if (k==0 && i==2 && j==1) {wave=0.70926};
if (k==0 && i==2 && j==2) {wave=0.713543};
if (k==0 && i==2 && j==3) {wave=0.71069};
if (k==0 && i==2 && j==4) {wave=0.632253};
if (k==0 && i==2 && j==5) {wave=0.61977};
if (k==0 && i==2 && j==6) {wave=5.40625};
if (k==0 && i==2 && j==7) {wave=4.9125};

if (k==0 && i==3 && j==1) {wave=1.78892};
if (k==0 && i==3 && j==2) {wave=1.79278};
if (k==0 && i==3 && j==3) {wave=1.79021};
if (k==0 && i==3 && j==4) {wave=1.62075};
if (k==0 && i==3 && j==5) {wave=1.60811};
if (k==0 && i==3 && j==6) {wave=0.0}; // ?
if (k==0 && i==3 && j==7) {wave=0.0}; // ?

if (k==0 && i==4 && j==1) {wave=0.208992};
if (k==0 && i==4 && j==2) {wave=0.213813};
if (k==0 && i==4 && j==3) {wave=0.0}; // ?
if (k==0 && i==4 && j==4) {wave=0.184363};
if (k==0 && i==4 && j==5) {wave=0.17837};
if (k==0 && i==4 && j==6) {wave=1.47635}; 
if (k==0 && i==4 && j==7) {wave=1.21546}; 

/*
if (k==1)
{   type -b "You have selected an alternate wavelength!";
}
else if (i==1) 
{   type -b "Cu" ; ;
    if (j==1) type -b "l=1.54";
    if (j==2) type -b "l=2.54";
}
*/

/* Create a new column if one does not exist */

var=0;
for(i=1;i<wks.ncols+1;i+=1){
   %k=wks.col$(i).name$;
   if (%k=="DSpacing") {var=1};
};
if (var==0) {wks.AddCol(DSpacing)};


/* Calculate the D-Spacings here */

var=wks.c1;
%A=wks.col$(var).name$;
col(DSpacing)=wave*col(%A);
col(DSpacing)=wave/sin(pi*col(%A)/2/180);





[MaxAndMin]


/* Make sure user has selected a column */

if (wks.sel==0)
{	
	type -b "You must first select a column!";
	break 1;
}

var=wks.c1;
%A=wks.col$(var).name$;
col(DSpacing)=wave*col(%A);
col(DSpacing)=wave/sin(pi*col(%A)/2/180);

/* Perform the search here */

jmax=col(%a)[1]; jmaxcol=1;
jmin=col(%a)[1]; jmincol=1;
i=0;
repeat wks.maxrows {
   i++;
   if (jmax<col(%a)[i]) {jmax=col(%a)[i];jmaxcol=i};
   if (jmin>col(%a)[i]) {jmin=col(%a)[i];jmincol=i};
};

/* Show the results to the user */

type -b 
"The maximum is $(jmax) in row $(jmaxcol)\n
The minimum is $(jmin) in row $(jmincol)";





[Normalize]

/* Make sure user has selected a column */

if (wks.sel==0)
{	
	type -b "You must first select a column!";
	break 1;
}

var=wks.c1;
%A=wks.col$(var).name$;
col(DSpacing)=wave*col(%A);
col(DSpacing)=wave/sin(pi*col(%A)/2/180);

/* Perform the search here */

jmax=col(%a)[1]; jmaxcol=1;
jmin=col(%a)[1]; jmincol=1;
i=0;
repeat wks.maxrows {
   i++;
   if (jmax<col(%a)[i]) {jmax=col(%a)[i];jmaxcol=i};
   if (jmin>col(%a)[i]) {jmin=col(%a)[i];jmincol=i};
};


/* Show the results to the user */

type -b 
"The data have been normalized by the maximum \n
 $(jmax) in row $(jmaxcol)";


/* Create a new column if one does not exist */

var=0;
for(i=1;i<wks.ncols+1;i+=1){
   %k=wks.col$(i).name$;
   if (%k=="INorm") {var=1};
};
if (var==0) {wks.AddCol(INorm)};
Col(INorm)=col(%a)/jmax;





[Scale]

/* Make sure user has selected a column */

if (wks.sel==0)
{	
	type -b "You must first select a column!";
	break 1;
}

var=wks.c1;
%A=wks.col$(var).name$;
loop(1,1,30) { getn -s (Scale factor) jmax; col(%a)=col(%a)*jmax; };





[Shift]

/* Make sure user has selected a column */

if (wks.sel==0)
{	
	type -b "You must first select a column!";
	break 1;
}

var=wks.c1;
%A=wks.col$(var).name$;
loop(1,1,30) { getn -s (Shift factor) jmax; col(%a)=col(%a)+jmax; };





[XRAYAbout]

type -b 
"XRAY is a custom menu which expands the capabilities \n
of Origin.  It is easy to add new features or to bind \n
complicated procedures or scripts to the Origin menu \n
bar.  Examine the files FULLMENU.CNF and SCRIPTS.OGS \n
for further details. \n
 \n
For information about X-RAY or to suggest new features \n
contact Ken Ritley at k-ritley@dxray.mpi-stuttgart.mpg.de. \n"