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[1

] (spurion.toc
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] [2])
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 [3]
Chapter 1.

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[] \OT1/cmtt/m/n/10 SPURION- program to calculate spurious processes from ICP-l
ike buffers[] 
 []


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[] \OT1/cmtt/m/n/10 To view documentation (html, latex, PS, PDF) based on the h
elp files,[] 
 []


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[]  \OT1/cmtt/m/n/10 **********************************************************
******************[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 50--50
[]  \OT1/cmtt/m/n/10 * spur_020430_$(g77,sgi). V0.4.13 April, 2002. Used on 200
2-04-30  11:39:1 *[] 
 []


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[]  \OT1/cmtt/m/n/10 *                            Written by Jeff Lynn, the dar
k ages, ca. 1970 *[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 50--50
[]  \OT1/cmtt/m/n/10 *                       Graphical version written by Carl 
Adams, Feb. 2001 *[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 50--50
[]  \OT1/cmtt/m/n/10 *                       Modified by Tanya Riseman, Nov, 20
01 - March, 2002 *[] 
 []


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[]  \OT1/cmtt/m/n/10 **********************************************************
******************[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 50--50
[]\OT1/cmtt/m/n/10 Help file spurion.hlp last modified April 30, 2002 by Tanya 
Riseman.[] 
 []


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[]  \OT1/cmtt/m/n/10 Jeff Lynn, the dark ages, ca. 1970   (original punch-card 
version)[] 
 []

[4

]
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[]\OT1/cmtt/m/n/10 Although the LAZY_PULVERIX has been extensively tested by it
s authors[] 
 []


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[] \OT1/cmtt/m/n/10 equivalent positions used by the program are part of the ou
tput and the user[] 
 []


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[] \OT1/cmtt/m/n/10 is advised to compare them with the values given in the int
ernational tables[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 It is an ASCII file, based on the VMS help facility. The fi
rst column[] 
 []


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[] \OT1/cmtt/m/n/10 should be reserved for a number character (1-9), indicating
 the depth of the[] 
 []


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[] \OT1/cmtt/m/n/10 If the character in the first column is "!", the line is ig
nored as a comment.[] 
 []

[5]
Overfull \hbox (22.4968pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 3. Type 'thistopic subtopic subsubtopic' to skip down the t
ree quick,[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 4. Type carriage return to go up a help level. Eventually y
ou will[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 5. You may truncate the help topic to the shortest unique s
et of characters.[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 126--126
[]\OT1/cmtt/m/n/10 The help routine needs the environment variable MSRHELP to b
e set in[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 order to find the help file spurion.hlp, which is probably 
in the same[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 directory as the source code. At the shell level, depending
 on the OS (VMS or[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 126--126
[] \OT1/cmtt/m/n/10 On Unix,"setenv MSRHELP <helpdir>" or "export MSRHELP='<hel
pdir>'"[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 172--172
[] \OT1/cmtt/m/n/10 1. A "lattice" page of reciprocal space in the scattering p
lane of the[] 
 []


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[]    \OT1/cmtt/m/n/10 spectrometer showing the Q, ki, and kf for the first and
 last points[] 
 []


Overfull \hbox (74.99634pt too wide) in paragraph at lines 172--172
[] \OT1/cmtt/m/n/10 2. A "scan" page showing the data (if the scan information 
is from a data file)[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 172--172
[] \OT1/cmtt/m/n/10 If not, you may have problems with the PGPLOT environment v
ariables.[] 
 []


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[] \OT1/cmtt/m/n/10 They are set in a script file (/usr/local/bin/spur on Jazz 
or runspurion_linux)[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 172--172
[] \OT1/cmtt/m/n/10 that sets environment variables and then runs the SPURION p
rogram:[] 
 []

[6]
Overfull \hbox (1.49698pt too wide) in paragraph at lines 172--172
[]\OT1/cmtt/m/n/10 If you are porting or modifying SPURION, you may get copies 
of the[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 172--172
[] \OT1/cmtt/m/n/10 the PGPLOT library and documentation from the official PGPL
OT web site:[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 1. A "lattice" page of reciprocal space in the scattering p
lane of the[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 193--193
[]    \OT1/cmtt/m/n/10 spectrometer showing the Q, ki, and kf for the first and
 last points[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 2. A "scan" page showing the higher order spurions energies
 vs.scan point.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 193--193
[]  \OT1/cmtt/m/n/10 Using the command "dm", you may read in scattering informa
tion from[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 a q-buffer (<base>.buf) or from the header of a data file (
<base>.bt*) to[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 replace the default values that the q-buffer variables are 
initialized with.[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 Information about the crystal structure and the Bragg peak 
intensities[] 
 []


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[] \OT1/cmtt/m/n/10 are inferred from a Lazy-Pulverix input file (<base>.lpi) t
hat you can enter[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 with the command "dm". The default is a square lattice and 
no information[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 193--193
[] \OT1/cmtt/m/n/10 about the Bragg intensities, which is the case when the Laz
y-Pulverix[] 
 []


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[] \OT1/cmtt/m/n/10 regions of reciprocal space that cannot be accessed for 0<A
4<115 degrees with[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 any pairs of |ki| and |kf| in the scan.  The inner dashed c
ircles are the[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 A4=0,115 boundaries for the least favorable ki-kf pairs.  S
ome information[] 
 []


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[] \OT1/cmtt/m/n/10 about  the scan is also given along with calculated values 
of the reciprocal[] 
 []


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[] \OT1/cmtt/m/n/10 lattice units for the zeta and eta directions in inverse An
gstroms.  There may[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 be  some reduction of the given orientation vectors which p
revents SPURION[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 If a lazy-Pulverix file (<base>.lpi) has been read in, the 
"lattice"[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 plot will show the structure and indicate which peaks are s
trong, weak and[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 (optionally) absent.  Consult this help file under INPUTFIL
ES command for[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 information about the LPI files.  The Sf(Q=0)^2 value is sh
own and should be[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 equal to the sum of scattering lengths in the unit cell squ
ared.  Sfq^2 values[] 
 []

[7]
Overfull \hbox (48.74657pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 and systematic absences are calculated with no Lorentz or t
hermal factors.[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 Look at the output file <base>.struct if you wish to verify
 that the generated[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 atoms are in the  correct positions in the unit cell. If th
ere are errors when[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 221--221
[] \OT1/cmtt/m/n/10 reading the LPI file, you can find diagnostic information i
n the file[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 247--247
[] \OT1/cmtt/m/n/10 1. The experimental intensity vs scan point (if a data file
 *.bt* was used)[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 247--247
[]    \OT1/cmtt/m/n/10 with the positions of likely spurions optionally super-i
mposed.[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 247--247
[]    \OT1/cmtt/m/n/10 In the case of those higher order spurions which interce
pt Bragg peaks, the[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 247--247
[]    \OT1/cmtt/m/n/10 Sf^2 of the Bragg peak is used a relative "intensity" fo
r the spurion.[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 247--247
[]      \OT1/cmtt/m/n/10 d. Incoherent spurions from the monochromator/analyzer
 are cyan/blue.[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 247--247
[]    \OT1/cmtt/m/n/10 Higher order spurions which intersect Bragg peaks are in
dicated in yellow.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 247--247
[] \OT1/cmtt/m/n/10 the sequential order of the scan. If the scan is a temperat
ure scan,[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 304--304
[]   \OT1/cmtt/m/n/10 The first line is the executable's name, version number a
nd today's date.[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 inconsistencies in the q-buffer. This warning line also app
ears in red on[] 
 []

[8]
Overfull \hbox (48.74657pt too wide) in paragraph at lines 304--304
[]   \OT1/cmtt/m/n/10 The third line are the input files which have been succes
sfully read in.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 304--304
[]   \OT1/cmtt/m/n/10 Each row of the menu has a 2 character option command, a 
description,[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 indicating if the option is the one most recently selected 
and a short string[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 indicating what numerical values are in use related to the 
option.[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 spur_020430_$(g77,sgi). V0.4.13 April, 2002. Used on 2002-0
4-30  11:39:19[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 304--304
[]\OT1/cmtt/m/n/10 SPUR_DEFAULT.buf          SPUR_DEFAULT.lpi                 S
PUR_DEFAULT.<ext>[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 i : Toggle plot incoherent scattering spurions        T F m
on=    0 ana=    0[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 o : Toggle plot u and v orientation vectors           F F n
absent=    0/    0[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 g : Toggle overlay grid on lattice plot               T F o
: 1.000 1.000[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 t : Change the rlv, energy spurion tolerances         F F  
0.050 A^-1 1.00 meV[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 b : BUMP! change maximum A4                           F F  
 115.00     degs[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 f : Sf^2 for an (hkl) reflection                      F F (
 0, 0, 0)=  0.0[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 z : Zoom spurion energy plot (0,0,0,0 for auto)       F F  
 0   0   0.0   0.0[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 r : Rescale plot (reverse xmin and xmax for left)     F F  
Right handed spectm[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 bw: Write out Q-buffer to a file                      F F  
no bufout yet[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 304--304
[] \OT1/cmtt/m/n/10 gw: Generate spectrometer angles-ICP dry run          F F  
no icp yet[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 326--326
[]\OT1/cmtt/m/n/10 The "dm" command allows you to read in new q-buffer informat
ion from[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 326--326
[] \OT1/cmtt/m/n/10 either a q-buffer (<base>.buf) or from a data file (<base>.
bt#), or continue[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 326--326
[] \OT1/cmtt/m/n/10 to use the current q-buffer values in memory, or start all 
over with the[] 
 []


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[] \OT1/cmtt/m/n/10 program's default values.  This is the purpose of the first
 question in the[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 326--326
[] \OT1/cmtt/m/n/10 dialog.  Next, you may optionally select lazy-Pulverix  inf
ormation which[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 326--326
[] \OT1/cmtt/m/n/10 defaults to none used, the current selected file,  a new fi
le with the same[] 
 []


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[] \OT1/cmtt/m/n/10 base name as the q-buffer or data file (<base>.lpi) or a fi
le with an[] 
 []

[9]
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[]\OT1/cmtt/m/n/10 The output file names are automatically based on the q-buffe
r name[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 326--326
[] \OT1/cmtt/m/n/10 (<base>.buf) or data file read in (<base>.bt#). If no file 
is read in,[] 
 []


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[]    \OT1/cmtt/m/n/10 For more information about the q-buffer file, see the he
lp topic[] 
 []


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[]     \OT1/cmtt/m/n/10 <base>.icp      (Optional ICP dry run, contains spect a
ngles)[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 372--372
[]     \OT1/cmtt/m/n/10 <base>_cl.ps    (Optional color postscript file, lattic
e plot)[] 
 []


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[]\OT1/cmtt/m/n/10 The output file names are automatically based on the q-buffe
r name[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 372--372
[] \OT1/cmtt/m/n/10 (<base>.buf) or data file read in (<base>.bt#). If no file 
is read in,[] 
 []

[10]
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[] \OT1/cmtt/m/n/10 resulting from n*ki-m*kf where n and m range from 1 to 4.  
These spurions[] 
 []


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[] \OT1/cmtt/m/n/10 correspond to higher order reflections from the monochromat
or and analyzer.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 The higher order spurions are shown with yellow and red dot
s.  Red dots[] 
 []


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[] \OT1/cmtt/m/n/10 correspond to elastic scattering (dE = 0) and yellow inelas
tic on the[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 "Lattice" page. Any spurions that match non-absent Bragg re
flections are[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 shown with arrows. Consider the amount of higher-order scat
tering from[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 monochromator and analyzer, the E of the spurious process, 
and the relative[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 Bragg peak intensity which contributes the spurious process
.  The match to[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 the Bragg reflections is governed by the spatial tolerance 
factor, which you[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 can change with the "t" command. The elastic scattering has
 dE=0 to within[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 the energy tolerance, which you can also change with the "t
" command.[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 Those higher order spurions which match within q-tolerances
 of a Bragg peak[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 are indicated by yellow symbols on the "Scan" page. The int
ensity plotted is[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 proportional the the Sf^2 of the Bragg peak on the top plot
, if Bragg peak[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 431--431
[]\OT1/cmtt/m/n/10 All elastic spurions and those inelastic spurions which are 
within[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 431--431
[] \OT1/cmtt/m/n/10 tolerance of Bragg peaks are written to the screen. All spu
rions are written[] 
 []

[11]
Overfull \hbox (69.74638pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 ki-|ki|*kf/|kf| and |kf|*ki/|ki|-kf.  These are processes w
here the scattering[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 from the sample is elastic and either the monochromator or 
analyzer is[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 scattering incoherently but with directions governed by A3 
and A4.  (Imagine[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 you are using vanadium as a MON or ANA.  Not such a smart i
dea!)  Shown with[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 cyan dots or blue dots with arrows if it matches a non-abse
nt Bragg peak.[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 Spurions are written to <base>.spur. The amount of incohere
nt scattering from[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 MON and ANA and the relative Bragg peak intensity determine
 the strength of[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 this spurious process. This process can be verified experim
entally by[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 changing A1 or A5 with A2 or A6 held constant. In addition,
 I know that I[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 have performed experiments with Si MON/ANA Xtals and Al pow
der scattering[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 at the sample contributed to this process. Check this manua
lly by the[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 positions of Al Ewald spheres relative to the cyan dots.  T
he matching of[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 Bragg reflections is governed by the q-tolerance factor, wh
ich you can change[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 Those incoherent spurions which match within q-tolerances o
f a Bragg peak are[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 463--463
[] \OT1/cmtt/m/n/10 indicated by cyan symbols for the monochromator and blue sy
mbols for the[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 484--484
[]\OT1/cmtt/m/n/10 SPURION calculates the Al Ewald spheres and compares their r
adii in[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 484--484
[] \OT1/cmtt/m/n/10 reciprocal space to |Q|. The spheres are plotted in green o
r in red if it[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 484--484
[] \OT1/cmtt/m/n/10 The matching is controlled by the tolerance factor which ma
y be changed by[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 484--484
[] \OT1/cmtt/m/n/10 the t command.  Any spurions are saved in <base>.spur.  Alu
minum is[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 484--484
[] \OT1/cmtt/m/n/10 face-centered cubic so only h,k,l all even or all odd refle
ctions will be[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 484--484
[] \OT1/cmtt/m/n/10 Those aluminum spurions which match within q-tolerances of 
a scan point Q[] 
 []

[12]
Overfull \hbox (22.4968pt too wide) in paragraph at lines 498--498
[]\OT1/cmtt/m/n/10 The orientation vectors, whose (hkl) are given in the axes l
abels, are[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 515--515
[]\OT1/cmtt/m/n/10 Label the ki, -kf, and Q wave vectors and state the energy t
ransfer.  You[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 515--515
[] \OT1/cmtt/m/n/10 can either overwrite the plot (blotting out the graphics be
low) or just[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 515--515
[] \OT1/cmtt/m/n/10 sensible places with reasonable sizes but what you see is w
hat you get.[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 529--529
[]  \OT1/cmtt/m/n/10 Plots a dashed line grid over the reciprocal lattice plot 
on the[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 529--529
[] \OT1/cmtt/m/n/10 "LATTICE" page, with your choice of u- and v- step size giv
e in rlu's.[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 529--529
[] \OT1/cmtt/m/n/10 You have the choice of the grid being Cartesian-style or us
ing the u and v[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 550--550
[]\OT1/cmtt/m/n/10 One of the most powerful SPURION commands.  With the "mm" co
mmand you[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 can nearly any of the q-buffer parameters in memory, thereb
y modifying the[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 scan conditions of the q-buffer and see how the spurions ar
e affected.  The[] 
 []

[13]
Overfull \hbox (43.49661pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 modifications do not take effect until you exit this sub-me
nu.  Note: any[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 inconsistent modifications should produce warnings and  err
ors, including[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 bright red warnings on the bottom of the plots and at the t
op of the main[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 menu.  There are no guarantees that all possible inconsiste
ncies will be[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 550--550
[] \OT1/cmtt/m/n/10 caught.  However, most errors should be correctable by reen
tering this modify[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 589--589
[]   \OT1/cmtt/m/n/10 The second line are the input files which have been succe
ssfully read in.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 589--589
[]   \OT1/cmtt/m/n/10 Each row of the menu has a 2 character option command, a 
description,[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 indicating if the option is the one most recently selected 
and a short string[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 indicating what numerical values are in use related to the 
option.[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 589--589
[]\OT1/cmtt/m/n/10 SPUR_DEFAULT.buf          SPUR_DEFAULT.lpi                SP
UR_DEFAULT.<ext.>[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 lp: Lattice: parameters a, b, c                       F F  
3.14  3.14  3.14 A[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 la: Lattice: angles aa, bb, cc                        F F  
90.0  90.0  90.0 Dg[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 ec: Energy: at center of scan                         F F  
 0. meV[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 es: Energy: step                                      F F  
 1. meV[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 fe: Energy: value of fixed (MON) or (ANA)             F F  
 14.6999998 meV[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 mo: Energy: toggle MON or ANA with E-fixed            F F  
(ANA) is fixed[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 dm: Energy: lattice spacing of MON                    F F  
 3.35400009 A[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 da: Energy: lattice spacing of ANA                    F F  
 3.35400009 A[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 qc: Space: qh qk ql at center of scan                 F F (
1.10,1.10,0.00)[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 qs: Space: qh qk ql step                              F F (
0.00,0.00,0.00)[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 u : Orient: u=(hkl) of scattering plane               F F (
   1,   1,   0)[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 v : Orient: v=(hkl)' of scattering plane              F F (
   0,   0,   1)[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 589--589
[] \OT1/cmtt/m/n/10 t0: Temp/H: start temperature T0                      F F  
 300. K[] 
 []

[14]
Overfull \hbox (1.7656pt too wide) in paragraph at lines 655--655
[] \OT1/cmr/bx/n/10 spu-rion:MainMenu:mm[]ModifyMenu:dm[]lattcSpacingMON 
 []

[15] [16]
Overfull \hbox (22.4968pt too wide) in paragraph at lines 775--775
[]\OT1/cmtt/m/n/10 Change the q and energy tolerance factors used in the "s" hi
gher order[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 775--775
[] \OT1/cmtt/m/n/10 spurions, "i" incoherent spurions, and "a" aluminum spurion
 calculations.[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 775--775
[] \OT1/cmtt/m/n/10 The user should keep in mind what the instrumental resoluti
on really is,[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 775--775
[] \OT1/cmtt/m/n/10 and modify the values accordingly. Ideally, eventually this
 program will[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 775--775
[] \OT1/cmtt/m/n/10 automatically calculate reasonable resolutions. Currently t
he program uses[] 
 []

[17]
Overfull \hbox (22.4968pt too wide) in paragraph at lines 809--809
[]\OT1/cmtt/m/n/10 Given that the intensity scaling of the reflections is quite
 rough use[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 the f command to give Sfq^2 directly.  No Lorentz or therma
l factors are[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 included.  At present only those Sfq^2 which are in scatter
ing plane can be[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 calculated. The value is printed to screen and also appears
 in the[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 If the requested h,k,l is accidentally not in the scatterin
g plane, a list of[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 809--809
[]     \OT1/cmtt/m/n/10 While SPURION is in the testing phase pay close attenti
on to the[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 atomic positions and scattering lengths given in <base>.str
uct when comparing[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 809--809
[] \OT1/cmtt/m/n/10 this value of Sfq^2 to those given by other programs or pro
cedures.  Inform[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 824--824
[] \OT1/cmtt/m/n/10 (min=0, max=# of scanpoints) and the vertical range for the
 higher order[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 824--824
[] \OT1/cmtt/m/n/10 separated by spaces or commas. Use zeros to have the progra
m use the[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 839--839
[]\OT1/cmtt/m/n/10 At the prompt enter xmin,xmax,ymin,ymax separated by spaces 
or commas.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 839--839
[]\OT1/cmtt/m/n/10 You may switch to a left-handed coordinate system and spectr
ometer by[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 854--854
[]\OT1/cmtt/m/n/10 Modify the presentation of the reciprocal lattice plot on th
e "LATTICE"[] 
 []

[18]
Overfull \hbox (27.74675pt too wide) in paragraph at lines 854--854
[] \OT1/cmtt/m/n/10 page. Note: If no lazy-Pulverix input file (*.lpi) is being
 used, this[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 889--889
[]   \OT1/cmtt/m/n/10 The second line are the input files which have been succe
ssfully read in.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 889--889
[]   \OT1/cmtt/m/n/10 Each row of the menu has a 2 character option command, a 
description,[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 indicating if the option is the one most recently selected 
and a short string[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 indicating what numerical values are in use related to the 
option.[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 889--889
[]\OT1/cmtt/m/n/10 ceb.buf                   ceb.lpi                           
       ceb.<ext.>[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 s : Toggle display Bragg intensities                  T F  
Sf^2 not shown[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 n : Toggle rep. intensities by circles/numbers        F F  
circles[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 u : Toggle circle size uniform or vary with Sf^2      F F  
uniform[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 l : Toggle show/hide sorting labels                   F F  
ABC..cba labels[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 a : Toggle display/hide systematic absences           F F  
hide absences[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 g : Toggle  bunching sort by S^2= base^n or +- tol    F F  
sort by +- tol[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 889--889
[] \OT1/cmtt/m/n/10 t : Select sorting tolerance (+- tol)                 F F  
    0.007     = tol[] 
 []


Overfull \hbox (19.18639pt too wide) in paragraph at lines 906--906
[] \OT1/cmr/bx/n/10 spu-rion:MainMenu:sm[]StrucFactorMenu:n[]NumbersOrCircles 
 []

[19]
Overfull \hbox (69.74638pt too wide) in paragraph at lines 955--955
[] \OT1/cmtt/m/n/10 proportional to the Bragg peak's intensity. Only affects ci
rcles, not numbers.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 971--971
[] \OT1/cmtt/m/n/10 main menu item "n" notations is selected. The individual in
tensities[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 971--971
[] \OT1/cmtt/m/n/10 with the largest intensity labeled by "A" and the smallest 
by "a".[] 
 []

[20]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1007--1007
[]  \OT1/cmtt/m/n/10 Different Bragg peaks will have the same intensities SF^2,
 such as[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 (1,0,1) and (1,0,-1). However, Lazy-Pulverix does not retur
n exactly the[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 same values. We want to label intensities which are nearly 
the same[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 which are within tolerance (+- tol) of each other are deeme
d to be identical.[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1007--1007
[]  \OT1/cmtt/m/n/10 This command toggles between the default sorting scheme de
scribed above[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 and one based on a log scale, base b. The log-sorting schem
e bunches all[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 intensities which are between base^n and base^(n+1) and giv
es those[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1007--1007
[] \OT1/cmtt/m/n/10 different intensities and one wants to quickly identify tho
se which are large[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1020--1020
[] \OT1/cmtt/m/n/10 has been selected. See the help option g_logSorting (for co
mmand "g").[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1033--1033
[] \OT1/cmtt/m/n/10 has been selected. See the help option g_logSorting (for co
mmand "g").[] 
 []

[21]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1070--1070
[] \OT1/cmtt/m/n/10 2. Which important main menu items have been selected, show
n on the[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1070--1070
[] \OT1/cmtt/m/n/10 3. The labels and intensity circles (grey or colored) for t
he Bragg peak[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 This is the printout command.  You can change the graphics 
device from[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 the default X-server to either black and white postscript o
r color[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 The generated PS file have a name based on the q-buffer or 
data file's name.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 so you must ask for both the "lattice" and the "scan" pages
 separately.[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 Currently, you can run other commands after this "pw" comma
nd, and they will[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 appear in the PS file. Consequently you MUST close the PS f
ile by either[] 
 []


Overfull \hbox (74.99634pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 selecting another "pw" device number (like 0=XSERVE) or by 
quiting the program.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1108--1108
[]  \OT1/cmtt/m/n/10 If using gray scale, remember that for the white on black 
X-window,[] 
 []

[22]
Overfull \hbox (69.74638pt too wide) in paragraph at lines 1108--1108
[] \OT1/cmtt/m/n/10 white is most intense but for black on white postscript bla
ck is most intense.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1108--1108
[]            \OT1/cmtt/m/n/10 =2 for B&W postscript file: <base>_bw.ps   = lat
tice plot[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1108--1108
[]            \OT1/cmtt/m/n/10 =3 for color postscript file: <base>_cl.ps   = l
attice plot[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1108--1108
[]            \OT1/cmtt/m/n/10 =4 for B&W postscript file: <base>_scbw.ps = sca
n plot[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1108--1108
[]            \OT1/cmtt/m/n/10 =5 for color postscript file: <base>_sccl.ps = s
can plot[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1108--1108
[]  \OT1/cmtt/m/n/10 To properly close a PS file, a new device must be selected
 or quit program.[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1120--1120
[]  \OT1/cmtt/m/n/10 Outputs the q-buffer variables to <base>.bufout, in same f
ormat as[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1145--1145
[]\OT1/cmtt/m/n/10 Another powerful calculational command that reproduces the d
ry run of[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 Tanya: I can change the formating of <base>.icp to assist i
t s usage as input[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 Carl Adams:  While SPURION is still in the testing phase it
 probably makes[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 sense to confirm that it agrees with ICP (at least within 0
.005 degrees).[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 If there are discrepancies contact Tanya Riseman or Carl Ad
ams ASAP[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 and we will fix the problem.  DO NOT BELIEVE the output of 
SPURION if it does[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 not agree with ICP!!  I have included a few things in SPURI
ON to check the[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1145--1145
[] \OT1/cmtt/m/n/10 validity of the buffer with warnings when appropriate but i
t may miss things[] 
 []

[23]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1177--1177
[]\OT1/cmtt/m/n/10 Give either a general help/description of SPURION or give de
tails of[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 1177--1177
[] \OT1/cmtt/m/n/10 It is an ASCII file, based on the VMS help facility. The fi
rst column[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1177--1177
[] \OT1/cmtt/m/n/10 should be reserved for a number character (1-9), indicating
 the depth of the[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1177--1177
[]\OT1/cmtt/m/n/10 Type 'thistopic subtopic subsubtopic' to skip down the tree 
quick,[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1191--1191
[] \OT1/cmtt/m/n/10 base file name is reused, so rename them if you have result
 you would like[] 
 []

[24]
Overfull \hbox (48.74657pt too wide) in paragraph at lines 1263--1263
[]\OT1/cmtt/m/n/10 'PROSS007.BT2' '12-AUG-2001 12:43' 'Q'    1175000.    6  'NE
UT'  105  'RAW'[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1263--1263
[]  \OT1/cmtt/m/n/10 Filename         Date            Scan       Mon    Prf  Ba
se   #pts  Type[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1263--1263
[]    \OT1/cmtt/m/n/10 11.000    -0.250       14.700        3.354   3.354      
6.00000   0.00000[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1263--1263
[]    \OT1/cmtt/m/n/10 E center  Delta E      EA fixed      M-dsp   A-dsp     T
mp strt   Tmp inc[] 
 []

[25]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1278--1278
[]\OT1/cmtt/m/n/10 This section describes the required format of a input q-buff
er file.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1278--1278
[]\OT1/cmtt/m/n/10 The program is now better at being able to read in <base>.bu
f files[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 1278--1278
[] \OT1/cmtt/m/n/10 which have had spaces removed or added in the course of han
d editing.[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1278--1278
[] \OT1/cmtt/m/n/10 (Hopefully no editing will be necessary after the file crea
ted using[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1278--1278
[] \OT1/cmtt/m/n/10 cut-and paste between windows).  The overall ICP format is 
required,[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1293--1293
[] \OT1/cmtt/m/n/10 Lattice:  a: 4.1396  b: 4.1396  c: 4.1396  aa: 90.000  bb: 
90.000  cc:90.000[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1293--1293
[] \OT1/cmtt/m/n/10 Energy:  EC: 5.0000 ES: 1.000 FE: 14.700 (ANA)  dM= 3.3542 
 dA= 3.3542[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1293--1293
[] \OT1/cmtt/m/n/10 Space:   HC: 1.0000 KC: 1.0000 LC: 0.0000  HS: 0.0000  KS: 
0.0000  LS: 0.0000[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1293--1293
[] \OT1/cmtt/m/n/10 Temp/H:  T0:1.2000  Inc-T.00000  Wait:  0  Err:.50  Hld0:  
0  Hld:  0  Field[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 1293--1293
[] \OT1/cmtt/m/n/10 Time:    Monit: 110000  Prefac:  1  M-typ:TIME  #pts:   11 
  AMON    POLA FKEY[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 1316--1316
[]\OT1/cmtt/m/n/10 The original lazy-PULVERIX has rather strict fixed format re
quirements[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 1316--1316
[] \OT1/cmtt/m/n/10 for the LPI. We have relaxed them, so that the output from 
the WWW application[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1316--1316
[] \OT1/cmtt/m/n/10 Lazy can be read, plus additional relaxations so that hand 
editing is not so[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1316--1316
[] \OT1/cmtt/m/n/10 dangerous. The input of the LPI file is now case insensitiv
e.  Where there is[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 1316--1316
[] \OT1/cmtt/m/n/10 free formating reads allowed, parameters may be separated b
y spaces, commas or[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1316--1316
[] \OT1/cmtt/m/n/10 but the read routines expect all the characters to be prese
nt, followed by a[] 
 []

[26]
Overfull \hbox (64.49643pt too wide) in paragraph at lines 1328--1328
[]  \OT1/cmtt/m/n/10 The title is the remainder of the line after the first 6 c
haracters 'TITLE '[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1328--1328
[]  \OT1/cmtt/m/n/10 Include for example the chemical formula and diffraction c
onditions. This[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1374--1374
[]                             \OT1/cmtt/m/n/10 THE LIST OF ALLOWED SYMBOLS IS 
GIVEN AT[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1374--1374
[]                             \OT1/cmtt/m/n/10 WAVELENGTHS FOR WHICH NO SYMBOL
 EXIST[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1374--1374
[]                             \OT1/cmtt/m/n/10 MUST BE GIVEN EXPLICITLY IN COL
S 15-20.[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1374--1374
[]                             \OT1/cmtt/m/n/10 IF LEFT BLANK CU K ALPHA RADIAT
ION IS[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1374--1374
[]                             \OT1/cmtt/m/n/10 VALUE OF WAVELENGTH IN COLUMNS 
15-20.[] 
 []

[27]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1399--1399
[]                             \OT1/cmtt/m/n/10 NEED NOT BE GIVEN IF SYMWL IS S
PECIFIED[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 1399--1399
[]   \OT1/cmtt/m/n/10 Example:  1.5946 is the wavelength value - only needed if
 CUA1 blank.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1399--1399
[]  \OT1/cmtt/m/n/10 THE WEIGHTED AVERAGE OF THE K ALPHA RADIATION FOR CHROMIUM
, IRON,[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1409--1409
[]   \OT1/cmtt/m/n/10 Example:  3 is the minimum theta angle. If blank, 0.0 is 
assumed.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1423--1423
[]                             \OT1/cmtt/m/n/10 IF LEFT BLANK  TL=0 AND TH=89 D
EGREES.[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 1423--1423
[]   \OT1/cmtt/m/n/10 Example:  80.0 is the maximum theta angle. If blank, 89.0
 is assumed.[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 1440--1440
[]   \OT1/cmtt/m/n/10 Columns     32  NORM      TABULAR REPRESENTATION OF THE P
OWDER PATTERN.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1440--1440
[]                             \OT1/cmtt/m/n/10 BLANK   INTENSITIES NORMALIZED 
TO 1000[] 
 []

[28]
Overfull \hbox (43.49661pt too wide) in paragraph at lines 1455--1455
[]   \OT1/cmtt/m/n/10 Columns  33-34  IMAGE     GRAPHIC REPRESENTATION OF THE P
OWDER PATTERN.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1455--1455
[]                             \OT1/cmtt/m/n/10 INTEGER  GRAPHIC OUTPUT OF INTE
NSITIES[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1455--1455
[]                                      \OT1/cmtt/m/n/10 IN STEPS OF 1/(2*INTEG
ER) OF[] 
 []


Overfull \hbox (32.9967pt too wide) in paragraph at lines 1481--1481
[]                             \OT1/cmtt/m/n/10 BLANK POWDER-DIFFRACTOMETER & M
ONOCHROMATOR[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1481--1481
[]                                   \OT1/cmtt/m/n/10 AT THE END OF THIS DESCRI
PTION.[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1481--1481
[]                              \OT1/cmtt/m/n/10 1    NO LP-FACTOR CORRECTION A
PPLIED[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1498--1498
[]    \OT1/cmtt/m/n/10 Columns    38  IANO      CORRECTION FOR ANOMALOUS DISPER
SION (X RAYS ONLY)[] 
 []

[29]
Overfull \hbox (1.49698pt too wide) in paragraph at lines 1513--1513
[]\OT1/cmtt/m/n/10 It is recommended to compute all structures with neutral ato
ms. If[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1513--1513
[] \OT1/cmtt/m/n/10 form factors for ionized atoms are used the programme will 
not make[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1513--1513
[] \OT1/cmtt/m/n/10 dispersion corrections.  No dispersion correction will be m
ade for neutron[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 1513--1513
[]\OT1/cmtt/m/n/10 technique is assumed, correction for anomalous dispersion wi
ll be made and a[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1540--1540
[]\OT1/cmtt/m/n/10 Note: alpha and beta depend on the geometry of the Guinier c
amera and[] 
 []


Overfull \hbox (38.24666pt too wide) in paragraph at lines 1540--1540
[] \OT1/cmtt/m/n/10 the d-spacing of the reflecting planes of the monochromator
 crystal. For[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1540--1540
[] \OT1/cmtt/m/n/10 Guinier cameras other than Guinier-de Wolff or Guinier-Hagg
, or for[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1540--1540
[] \OT1/cmtt/m/n/10 monochromator crystals other than quartz, changes in the pr
ogramme have to be[] 
 []

[30]
Overfull \hbox (27.74675pt too wide) in paragraph at lines 1561--1561
[] \OT1/cmtt/m/n/10 Note: Items (*) which may be left blank, must use a comma t
o indicated[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1561--1561
[] \OT1/cmtt/m/n/10 that the item is blank unless they are at the end of the li
ne. See help items[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 1587--1587
[] \OT1/cmtt/m/n/10 If Rhombohedral axes are required, the structure must be de
scribed in the[] 
 []

[31]
Overfull \hbox (6.74693pt too wide) in paragraph at lines 1634--1634
[]\OT1/cmtt/m/n/10 The list of permitted symbols is given below, sorted by the 
lattice[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1634--1634
[] \OT1/cmtt/m/n/10 symmetry. No other symbols are permitted. Do NOT include th
e * preceding some[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1634--1634
[] \OT1/cmtt/m/n/10 of the symbols. The * indicates centrosymmetric space group
s which have been[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 1634--1634
[] \OT1/cmtt/m/n/10 described with several settings. The programme generates on
ly the setting with[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 1634--1634
[] \OT1/cmtt/m/n/10 the centre of symmetry at the origin of the unit cell. Note
 that instead of[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1634--1634
[] \OT1/cmtt/m/n/10 using the SPCGRP symbol, you may use the explicit space gro
up operators. For[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1653--1653
[]  \OT1/cmtt/m/n/10 Hermann Mauguin symbol for the space group adjust to the l
eft of the field.[] 
 []


Overfull \hbox (43.49661pt too wide) in paragraph at lines 1653--1653
[] \OT1/cmtt/m/n/10 * Screw axes are given by two integers that are not separat
ed by a blank.[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1664--1664
[]\OT1/cmtt/m/n/10 without error messages. Please check the listing  after runn
ing the programme.[] 
 []


Overfull \hbox (59.24648pt too wide) in paragraph at lines 1664--1664
[]\OT1/cmtt/m/n/10 For non standard space group settings SYMTRY- AND LATICE- ca
rds must be used.[] 
 []

[32]
Overfull \hbox (32.9967pt too wide) in paragraph at lines 1684--1684
[] \OT1/cmtt/m/n/10 groups with rhombohedral axes must be simulated using LATIC
E and SYMTRY[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1684--1684
[]\OT1/cmtt/m/n/10 Do NOT include the * preceding some of the symbols. The * in
dicates[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1684--1684
[] \OT1/cmtt/m/n/10 centrosymmetric space groups which have been described with
 several settings.[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 1684--1684
[] \OT1/cmtt/m/n/10 The programme generates only the setting with the centre of
 symmetry at the[] 
 []


Overfull \hbox (69.74638pt too wide) in paragraph at lines 1684--1684
[] \OT1/cmtt/m/n/10 origin of the unit cell. Note that instead of using the SPC
GRP symbol, you may[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1705--1705
[] \OT1/cmtt/m/n/10 to the monoclinic setting with the b-axis unique (alpha=gam
ma=90)[] 
 []

[33]
Overfull \hbox (27.74675pt too wide) in paragraph at lines 1773--1773
[] \OT1/cmtt/m/n/10 Rhombohedral axes are required, the structure must be descr
ibed in the[] 
 []

[34]
Overfull \hbox (27.74675pt too wide) in paragraph at lines 1824--1824
[] \OT1/cmtt/m/n/10 Note: Items (*) which may be left blank, must use a comma t
o indicated[] 
 []


Overfull \hbox (64.49643pt too wide) in paragraph at lines 1824--1824
[] \OT1/cmtt/m/n/10 that the item is blank unless they are at the end of the li
ne. See help items[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1849--1849
[]\OT1/cmtt/m/n/10 Do NOT include the asterisk preceding an atom symbol. This a
sterisk[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1849--1849
[] \OT1/cmtt/m/n/10 indicates atom identifiers that are allowed for both X-ray 
and neutron[] 
 []

[35]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1849--1849
[]\OT1/cmtt/m/n/10 Atom symbols followed by a point have a special meaning (see
 below).[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1849--1849
[]\OT1/cmtt/m/n/10 In case of X-ray diffraction, use neutral atoms unless you k
now exactly[] 
 []

[36]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 1944--1944
[]\OT1/cmtt/m/n/10 This factor is usually 1 (=full occupancy of the site) but i
t may be[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1944--1944
[] \OT1/cmtt/m/n/10 smaller in disordered structures. If left blank full occupa
ncy will be[] 
 []

[37]
Overfull \hbox (1.49698pt too wide) in paragraph at lines 1971--1971
[]  \OT1/cmtt/m/n/10 * For Trigonal P-space groups, use P with the hexagonal se
tting.[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 1971--1971
[]  \OT1/cmtt/m/n/10 * For R-space groups, use R with an hexagonal cell (the pr
ogramme assumes[] 
 []


Overfull \hbox (53.99652pt too wide) in paragraph at lines 1971--1971
[]    \OT1/cmtt/m/n/10 the standard obverse setting) or use P with a rhombohedr
al cell and give[] 
 []


Overfull \hbox (74.99634pt too wide) in paragraph at lines 1971--1971
[]  \OT1/cmtt/m/n/10 * If no SPCGRP nor LATICE line is given, a primitive acent
ric cell is assumed.[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1998--1998
[] \OT1/cmtt/m/n/10 Equivalent positions line is in free format with x,y,z sepa
rated by[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 1998--1998
[]\OT1/cmtt/m/n/10 For centrosymmetric cells (ISYMCE=C in LATICE), give only on
e of the[] 
 []


Overfull \hbox (17.24684pt too wide) in paragraph at lines 1998--1998
[]\OT1/cmtt/m/n/10 For I-, R-, F-, A-, B- and C- cells (SYMBR=I,R,F,A,B OR C in
 LATICE),[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 1998--1998
[]\OT1/cmtt/m/n/10 If no SYMTRY command is given, X,Y,Z is automatically assume
d, however[] 
 []


Overfull \hbox (27.74675pt too wide) in paragraph at lines 1998--1998
[] \OT1/cmtt/m/n/10 if SYMTRY commands are given then the X,Y,Z position must b
e included.[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 1998--1998
[]\OT1/cmtt/m/n/10 You may use the Bilbao Space Group Generator to obtain these
 space[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 1998--1998
[] \OT1/cmtt/m/n/10 group generators (see http://www.cryst.ehu.es/cryst/get_gen
.html).[] 
 []

[38]
Overfull \hbox (11.99689pt too wide) in paragraph at lines 2059--2059
[]     \OT1/cmtt/m/n/10 <base>.struct   (Structure information, based on Lazy-P
ulverix)[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 2059--2059
[]     \OT1/cmtt/m/n/10 <base>.icp      (Optional ICP dry run, contains spect a
ngles)[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 2059--2059
[]     \OT1/cmtt/m/n/10 <base>_cl.ps    (Optional color postscript file, lattic
e plot)[] 
 []


Overfull \hbox (1.49698pt too wide) in paragraph at lines 2079--2079
[]\OT1/cmtt/m/n/10 Terse warnings appear on the second line of the main menu an
d also[] 
 []

[39]
Overfull \hbox (22.4968pt too wide) in paragraph at lines 2079--2079
[] \OT1/cmtt/m/n/10 Currently there are 4 separate kinds of warnings, nearly al
l of which[] 
 []


Overfull \hbox (11.99689pt too wide) in paragraph at lines 2079--2079
[] \OT1/cmtt/m/n/10 are due to logical inconsistencies in the values in the q-b
uffer in[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 2079--2079
[] \OT1/cmtt/m/n/10 memory, either as it was read in originally or subsequently
 modified.[] 
 []


Overfull \hbox (6.74693pt too wide) in paragraph at lines 2079--2079
[]  \OT1/cmtt/m/n/10 2. There is no item in the q-buffer which is stepped in th
e scan.[] 
 []


Overfull \hbox (22.4968pt too wide) in paragraph at lines 2079--2079
[]  \OT1/cmtt/m/n/10 3. The number of steps in the scan is either zero or large
r than the[] 
 []


Overfull \hbox (48.74657pt too wide) in paragraph at lines 2079--2079
[]  \OT1/cmtt/m/n/10 4. Miscellaneous other warnings, involving nonsensical lat
tice angles and[] 
 []

[40] (spurion.aux) ) 
Here is how much of TeX's memory you used:
 1923 strings out of 20887
 26446 string characters out of 196275
 91921 words of memory out of 350001
 4904 multiletter control sequences out of 10000+15000
 9628 words of font info for 34 fonts, out of 400000 for 1000
 14 hyphenation exceptions out of 10000
 25i,6n,36p,162b,350s stack positions out of 3000i,100n,1500p,50000b,4000s

Output written on spurion.dvi (41 pages, 159284 bytes).
