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19.FOURC> prdef czdef cz ’if ($# != 6) {print "Usage: cz h0 k0 l0 h1 k1 l1"exit}Z[0]=$1; Z[1]=$2; Z[2]=$3; Z[3]=$4; Z[4]=$5; Z[5]=$6calcZprintf("Chi = %g Phi = %g\n", A[chi], A[phi])waitmove; get_angles; calcHKL’20.FOURC>Least-Squares Refinement of Lattice Parameter sIn the previous sections, the procedure described for determining the orientationmatrix required a knowledge of the lattice parameters of the crystal and the positionof two reflections. When such information is unknown, the orientation matrix can befit to an unlimited number of observed peak positions using a least-squaresprocedure. 7 Lattice parameters derived from the fitted orientation matrix can then becalculated, although such lattice parameters are not constrained to exhibit any symmetrywhatsoever.In <strong>spec</strong>’s implementation of least square refinement, three macros are used to createafile that contains the observed peak positions. That file is eventually run as a commandfile, and the least squares analysis is performed.The reflex_beg macro initializes the reflections file:7 J. Matthews and R. L. Walker, Mathematical Methods of Physics, (Benjamin, Menlo Park, 1970), p. 391.180 FOUR-CIRCLE REFERENCE INTERIM WORK-IN-PROGRESS (8/16/01) NOT FOR GENERAL DISTRIBUTION
global REFLEX # Variable for file name# Open the file, save old one as .bak and write headerdef reflex_beg ’{if ("$1" == "0") {if (REFLEX == "")REFLEX = "reflex"REFLEX = getval("Reflections file", REFLEX)} elseREFLEX = "$1"}’if (open(REFLEX))exitclose(REFLEX)if (file_info(REFLEX, "-s"))unix(sprintf("mv %s %s.bak", REFLEX, REFLEX))fprintf(REFLEX,"# %s\n\n_begUB\n\n",date())The reflex macro adds lines to the file that contain the (H, K, L )and (2θ , θ , χ , φ )ofeach reflection:# Add reflection to the filedef reflex ’if ($# != 3) {print "Usage: reflex H K L"exit}if (REFLEX == "") {REFLEX = getval("Reflections file", "reflex")if (REFLEX == "")exit}waitmove; get_angles; calcHKLfprintf(REFLEX,"H = %g; K = %g; L = %g\n",$1,$2,$3){local i’for (i=0; i
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spec X-Ray Diffraction SoftwareUSER
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specX-Ray Diffraction SoftwareCerti
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TABLE OF CONTENTSUSER MANUAL AND TU
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Reciprocal Space Macros ...........
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Preface For the Interim ManualWe ap
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USER MANUAL AND TUTORIALS
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files is then identified (/usr/loca
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denotes variable parameters you sup
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spec also keeps track of software m
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13.FOURC> mvr th 114.FOURC>will mov
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8 0.98 0 0 17603 38839 19 0.99 0 0
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4.FOURC> p date(1e9)Sat Sep 8 21:46
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Controlling Output Tothe Printer an
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By convention, global variables in
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16.FOURC> for (i = 0; i < MOTORS; i
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When a macro definition contains ar
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38.FOURC> undef com39.FOURC> prdef
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43.FOURC> lsdef *scanEscan (1448) a
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diffractometer. For example, they m
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set_lim(motor_number, low, high) an
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66.FOURC> getcounts; printf("%s = %
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the number of bytes is less than n
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PLOT-> fnscans.4 options scan-numbe
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#S number Starts a new scan. number
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ShowscansThe showscans program is a
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REFERENCE MANUAL
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IntroductionThe material contained
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ArraysArrays are formed using squar
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Numer ic ConstantsNumeric constants
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!! Redo the previous command.!14 Re
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In some installations, spec is inst
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ExitingA spec session is normally t
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DEBUG — is a user-assignable nume
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USER — is string valued and is se
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The concatenation operator comes in
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The second form of the for statemen
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These are the grammar rules:express
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local identifier-list [ ; ]syms pat
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Utility Functions and CommandsAll f
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.sp N — spaces N lines. Without a
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¢The formatting commands:.RB .BR .
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"ischr" or "−c" — Returns true
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polled devices, spec needs to perfo
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"show_prdef_files" — When this mo
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EOS sequence are read or until the
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¡with dlog or ends with .dlog . De
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10.FOURC> def change_it ’{11.quot
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tty_cntl(cmd) — Sends terminal-sp
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Commands For Var ia blesglobal name
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¤£ ¢prdef pattern ... — As abo
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at the end of the line.Within a mac
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config file. Built-in code for the
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RS-232 Serial InterfacesSerial func
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vme_put32(addr, data [, dmode ])
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In addition, device-dependent value
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correction. If val is given, then t
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¡and is set in the config file. Th
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¡data_grp(grp, npts, wid) — Conf
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"min" — Returns the minimum value
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"xlog" — Use a logarithmic x axis
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continued line, appropriate for sav
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LIBS= parameters. If the tools prov
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¡void set_return_data(double *x, i
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split(string, array) — Splits the
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STANDARD MACRO GUIDE
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IntroductionThe standard macros inc
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the argument is not a valid mnemoni
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Utility MacrosUNIX CommandsThese si
Page 139 and 140: # View (and modify), then reread co
Page 141 and 142: if ("$1" != ".") {DOFILE = "$1"if (
Page 143 and 144: Star t-up MacrosThese macros ask fo
Page 145 and 146: Motor Macrosmv motor posmvr motor p
Page 147 and 148: Change a motor limitdef set_lm ’i
Page 149 and 150: # Where - all motorsdef wa ’waitm
Page 151 and 152: # "count" is the basic macro to cou
Page 153 and 154: Reciprocal Space MacrosThe followin
Page 155 and 156: Scan MacrosThe following sections s
Page 157 and 158: Basic Reciprocal Space Scanshscan s
Page 159 and 160: def Pheader ’printf("\n Setpoint
Page 161 and 162: ’}Here are examples of _settemp m
Page 163 and 164: Pr inter Initializa tion MacrosThes
Page 165 and 166: ’X_L = motor_name(_m1)_sx = _s1 ;
Page 167 and 168: space scans, the limit check must l
Page 169 and 170: }}Pheaderprintf("\noffpprintf(" ")_
Page 171 and 172: # The loop macro, called by all the
Page 173 and 174: FOUR-CIRCLE REFERENCE
Page 175 and 176: IntroductionWhen invoked by the nam
Page 177 and 178: Once properly configured, diffracto
Page 179 and 180: Four-CircleModesAs noted above, bec
Page 181 and 182: asurface, keeping α small will kee
Page 183 and 184: ¢¢¢¢Sector sSectors correspond
Page 185 and 186: Four-CircleFilesMost questions rega
Page 187 and 188: U[14] g_l0 or0, setor0 L of primary
Page 189: ’gpset A[mA[1]] g_u01gpset A[mA[2
Page 193 and 194: To calculate the new lattice parame
Page 195 and 196: ADMINISTRATOR’S GUIDE
Page 197 and 198: IntroductionThe first section of th
Page 199 and 200: The distribution will be in tar for
Page 201 and 202: ¢KSC 3929 SCSI-CAMAC file location
Page 203 and 204: Installing Driver sIn the early his
Page 205 and 206: Fine Tuning the HardwareConfigurati
Page 207 and 208: ...*gparam[3] = 1.54;...if (*gparam
Page 209 and 210: Makefile, and /usr/local/lib/spec.d
Page 211 and 212: Ena bling E/ISA I/O Por ts On HP 70
Page 213 and 214: ˆW Gain wizard access to set prote
Page 215 and 216: CA_LC2301CA_LC3512CA_LC3521CA_LC358
Page 217 and 218: MCU_O As above, but with old PROMsM
Page 219 and 220: config file that has the most motor
Page 221 and 222: the edconf program set-user id spec
Page 223 and 224: HARDWARE REFERENCE
Page 225 and 226: Introductionspec includes built-in
Page 227 and 228: DSP 6001/6002 CAMAC With No Driverc
Page 229 and 230: Kinetic Systems CAMAC Softwareconfi
Page 231 and 232: Any of the National Instruments boa
Page 233 and 234: National Instruments SB-GPIB Ver 1.
Page 235 and 236: modified version of the standard li
Page 237 and 238: Bit 3 Model 616/617 PCI-VMEBit 3 Mo
Page 239 and 240: Motor Controller sAdvanced Control
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panel controls. Youshould consult t
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Huber SMC 9000 (GPIB)config file:GP
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motors on the board) and clears the
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translation stages, the maximum val
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MOTORS DEVICE ADDR MODE NUM TYPEYES
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The driver is contained in the file
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30.FOURC> print motor_par(tth, "rea
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free-axis-displacement commands "L+
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PMC Corporation DCX-100 (Serial and
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Motor ParametersThe steps per deg/m
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Timer s and CountersAm9513-based Co
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DSP RTC-018 Real Time Clock (CAMAC)
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Kinetic Systems 3610 6-Channel 50 M
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Or tec 974/994/995/997 NIM Timer s
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Setting Operational ParametersThe c
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mca_par("first_ch") — returns the
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Oxford/Tennelec/Nucleus PCA Mutlipo
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mca_par("preset") — in PHA mode,
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¢REFERENCESJournal articles descri
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camac program, 199cat macro, 127cd
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opening, 6selecting, 6standard form
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saving to output device, 132scan, 1
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number,35, 37output, customizing, 1
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wait() function, 33, 68, 77, 78, 99
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¡spec (1) (CSS Utilities) spec (1)
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