R. Ghosh, September 1997
Annotation of the 'common' data-file format for diffraction instruments
____________________________________________________Numor 16500 below is a typical file for an omega:x-theta scan on D10.
With the q-scan this is the most frequently occurring 'type' of data file of D10, but other 'types' may be generated, e.g. from simple acquisitions or inelastic scans.
The format has been common with the other single-crystal diffractometers, D9, D15 and D19 since 25 March 1989. The location of data in all groups of fields except the last is invariant. The variation that may occur in the last is simply in the number of data per point in addition to the count (or many counts for a multidetector), monitor and time.
Summary of file format:
D10 header + 80A,31I,50F,150D The annotated ascii file: RRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRR 016500 AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 80 1 Inst User L.C. Date Time D10 UrsulaG.Mc16-FEB-91 01:52:38 AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 80 1 Title ScanType Cs2FeCl5.H2O Crystal No. 1 12/2/91 OM_X_TH IIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIII 31 5 CONTROL FLAGS Nver Ntype Kctrl Manip Nbang Nkmes Npdone Jcode Ipara Ianal Imode Itgv Iregul Ivolt Naxe Npstart Ilast1 Isa Flgkif Ih Ik Nbsqs (spare) Nbdata Icdesc1 Icdesc2 Icdesc3 Icdesc4 Icdesc5 Icdesc6 Icdesc7 2 1 0 17 2 30 30 0 0 0 0 0 3 0 1 0 0 0 1 2 1 26 0 0 2 1 0 0 0 0 0 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 50 11 PARAMETERS H (Hmin) K (Kmin) L (Lmin) Phi Chi Omega 2Theta (Gamma) Psi UB(1,1) UB(2,1) UB(3,1) UB(1,2) UB(2,2) UB(3,2) UB(1,3) UB(2,3) UB(3,3) Wavelength dMonitor dAnalyser Energy Hmax (Dqh) Kmax (Dqk) Lmax (Dql) DeltaH DeltaK DeltaL DeltaEnergy Ki (Kf) Ddetector (spare) (spare) (spare) (spare) (spare) StartAngle DeltaAngle RangeAngle PresetMon (Tim) BgDeltaAngle BgRangeAngle BgPresetMon (T) CouplingFactor 2ThetaSAC MonitorDivisor TempRequest TempRegul TempSample Voltage (spare) 0.20000000E+01 0.30000000E+01 0.11000000E+02 -0.40042614E+02 0.20072546E+02 0.28444677E+02 0.56889355E+02 0.00000000E+00 -0.98718202E-03 -0.24659410E-01 0.56328040E-01 -0.50696987E-02 -0.53124703E-01 -0.26123399E-01 0.13608567E+00 -0.21579757E-02 -0.56458364E-03 0.12599800E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.40000000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.27694677E+02 0.51724143E-01 0.15000000E+01 0.60000000E+04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.10000000E+01 0.00000000E+00 0.00000000E+00 0.99730003E+02 0.99728996E+02 0.99999001E+02 0.00000000E+00 0.10000056E+03 SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS 1 0 1 16500 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 150 0.24000000E+02 0.60000000E+04 0.22100000E+03 0.27680008E+02 0.56129993E+02 0.18000000E+02 0.60000000E+04 0.23000000E+03 0.27750000E+02 0.56200001E+02 0.23000000E+02 0.60000000E+04 0.22800000E+03 0.27800003E+02 0.56230000E+02 0.21000000E+02 0.60000000E+04 0.22500000E+03 0.27850006E+02 0.56299992E+02 0.18000000E+02 ........... . .... .... A total of 150 data stored as REALs
In more detail the data written to the raw data file are: (Based on the original document of Alain Barthélemy of 11 March 1989.)
Numor Instrument, User, Local contact, Date, Time (A4,A6,A4,2A9) Title 31 Integers, mostly flags: 1 nvers Version of data structure (=2 since 25/3/1989 for D9,D10,D15,D19) 2 ntype Single or multi detector (1-2) 3 kctrl Type of command that generated the data (1-25) examples (D10): 0:POW,1:MES,2:SEN,3:CAM,4:CEN,5:BOB,6:REN,7:QSC,8:SQS 9:PSI,10:MES-test,11:Temp.,(+100 if spin-echo) 4 manip Motor number or scan type (0-30) examples (D10): 1:2Theta,2:Omega,3:Chi,4:Phi,5:TA,6:OA,7:MO,8:Wm 9:St,10:At,11:T1,12:T2,13:Re,14:Ti,15:Cm,16:Ca, 17:2Theta+Omega,18:ACQ,21-30:SpinEcho Fields 1-10 5 nbang Number of additional parameters saved per data point (0-7) 6 nkmes Number of data points requested 7 npdone Number of data points saved 8 jcode Count on monitor or time (0-1) 9 ipara Mode of angle calculation (0-1) 10 ianal Without or with analyser (0-1) (D10) 11 imode Sign of the sense of 2theta (0-1) 12 itgv Count or not count while setting (0-1) (D9) 13 iregul Type of temperature regulation (0-3) 14 ivolt Type of multimeter (0-3) 15 naxe Flag for 2-axis or 4-circle (0-1) (D10) 16 npstart Flag for fragmented scans (0-n) (D19) 17 ilast1 Elastic or inelastic measurement (0-1) (D10) 18 isa Sign of the sense of 2theta-analyser (D10) 19 flgkif Constant ki or constant kf (D10) 20 ih Variation factor for h in SQS (D10) 21 ik Variation factor for k in SQS (D10) 22 nbsqs Slice number in SQS (D10) 23 (spare) 24 nbdata Number of count data per point 25-31 icdesc Seven codes for the nbang additional parameters saved per point 50 Reals: 1-3 h,k,l 4-8 phi, chi, omega, 2theta, psi at scan centre 9-17 Nine elements of the UB matrix 18 Wavelength 19-20 Monitor and analyser d spacings 21 Energy at scan centre 22-24 hmax, kmax, lmax (QSC,SQS) or dqh,dqk,dql (PHO) 25-27 dh, dk, dl (QSC,SQS) 28 Increment in energy per step 29 ki or kf 30 Distance from sample to detector 36 Scan angle at start of scan 37 Increment in scan angle 38 Scan range 39 Preset monitor or time 40 Increment in background scan angle 41 Background scan range 42 Preset monitor or time for background scan 43 Scan coupling factor 44 2theta at centre of SAC (coupled OA/TA) scan (D10) 45 Monitor divisor (D10) 46-48 Requested, regulation and sample temperatures 49 Voltmeter reading 50 (spare) 3 integers: (Spectra header) 1 2 3 4 Numor (3+nbang)*npdone reals: (count, monitor, time, nbang parameters) for each step
Information from G. McIntyre, November 1994
INDIFD is a Fortran callable routine for reading uncompressed data and may be found in /usr/ill/lib/indifd.o
This instrument offers very high neutron intensity at the sample, which, coupled with the large multi-detector, offers the possibility of performing a wide range of measurements at high precision, or with short measuring times (stroboscopic/cyclic/kinetic measurements).
Three similar data formats reflect these different types of measurements. All have the same basic header information. In the simplest case the format is 80A 480A 30F 25F 30F 15F 55F 15F + 1 x ( 1600J ) The headers (80A 480A 30F 25F 30F 15F 55F 15F) are as follows:
RRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRR 24000 1 3 ILL datafile ASCII Format D20 version 3 AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 80 0 D20 caciuffo 3:18:13 28-Aug-97 AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 480 0 SAMPLE :LaSrCoO3 x=0.25 Experimentalist :caciuffo Proposal number :5-31-986 Experimental Title :as sample Local :radaelli Start time of numor:28-Aug-97 03:15:11 Stop time of numor:28-Aug-97 03:18:13 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 30 7 DIFFRACTOMETER OPTICS AND REACTOR PARAMETERS: Alpha1 (1/2/3/4) HPOGFilter CorFilter Lambda (A) Takeoff (deg) MonoChanger OmMono TiltMono BendMono (spare) SlitM1 (mm) SlitM2 (mm) SlitM3 (mm) SlitM4 (mm) OS (0/1) Palpha2 (mbar) SlitS1 (mm) SlitS2 (mm) SlitS3 (mm) SlitS4 (mm) (spare) (spare) (spare) (spare) (spare) ReactorCycle RtrPower (MW) D19 (spare) (spare) 1.00000000e+01 1.00000000e+00 0.00000000e+00 2.41000009e+00 4.20000000e+01 1.20000000e+02 9.97999954e+00 3.33999991e+00 0.00000000e+00 0.00000000e+00 1.40000000e+02 1.40000000e+02 1.20000000e+01 1.20000000e+01 1.00000000e+00 0.00000000e+00 1.90000000e+01 2.70000000e+01 4.00000000e+00 4.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.74000000e+02 5.72000008e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 25 6 MONOCHROMATOR MOTOR PARAMETERS ZeroChanger ButMinChanger ButMaxChanger PrcChanger ChangerAngle ZeroTrans ButMinTrans ButMaxTrans PrcTrans Translation ZeroOmega ButMinOmega ButMaxOmega PrcOmega Omega ZeroTilt ButMinTilt ButMaxTilt PrcTilt TiltAngle ZeroBender ButMinBender ButMaxBender PrcBender Bender 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 30 7 DIFFRACTOMETER MOTOR PARAMETERS Zero2Theta ButMin2Theta ButMax2Theta Prc2Theta (spare) ZeroOmega ButMinOmega ButMaxOmega PrcOmega (spare) ZeroChi ButMinChi ButMaxChi PrcChi (spare) ZeroPhi ButMinPhi ButMaxPhi PrcPhi (spare) ZeroT1 ButMinT1 ButMaxT1 PrcT1 (spare) ZeroT2 ButMinT2 ButMaxT2 PrcT2 (spare) 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 15 4 DETECTOR AND DAS PARAMETERS HTAnode (V) HTCathode (V) Pgas (bar) Pring (bar) TSPD (C) Vrack1 (V) Vrack2 (V) Vrack3 (V) Vrack4 (V) Vrack5 (V) Track1 (V) Track2 (V) Track3 (V) Track4 (V) Track5 (V) 1.20000000e+03 4.00000000e+02 4.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 55 12 DATA ACQUISITION CONTROL PARAMETERS SequenceType NbofSegment SegmentNo NbOfDataSet DataSet TminSeg (K) TmaxSeg (K) TimeSeg (sec) (spare) (spare) 2ThMini (deg) 2ThMax (deg) 2ThStep (deg) (spare) (spare) OmeMini (deg) OmeMax (deg) OmeStep (deg) (spare) (spare) ChiMini (deg) ChiMax (deg) ChiStep (deg) (spare) (spare) PhiMini (deg) PhiMax (deg) PhiStep (deg) (spare) (spare) Tr1Mini (deg) Tr1Max (deg) Tr1Step (deg) (spare) (spare) Tr2Mini (deg) Tr2Max (deg) Tr2Step (deg) (spare) (spare) StroboType NbOfCycles NbOfSlices Slice_No (spare) TimeSlice Time_Delay Time_Window (spare) (spare) MonitorCnts CntTime (sec) Trig M(0)/ T(1) Mon/tim ratio (spare) 0.00000000e+00 0.00000000e+00 1.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 9.00000000e+01 2.00000000e+00 1.00000000e+00 0.00000000e+00 8.00000000e+06 0.00000000e+00 8.00000000e+06 0.00000000e+00 0.00000000e+00 7.95379000e+05 1.80004512e+08 0.00000000e+00 1.00000000e+00 0.00000000e+00 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 15 4 SAMPLE STATUS: SamEnvType Tset (k) Treg (k) Tsample (k) 2theta Omega (deg) Chi (deg) Phi (deg) Tr1 (mm) Tr2 (mm) Volt1 (V) Volt2 (V) Volt3 (V) Volt4 (V) Volt5 (V) 0.00000000e+00 2.00000000e+00 6.59130020e+01 7.78520050e+01 3.00013332e+01 1.31703995e+02 4.66665009e+02 4.66665009e+02 2.66664990e+03 2.66664990e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS1. Simple measurements - single frame
% anadat 024000 anadat - version 2.1 August 1997 (R.E. Ghosh) Scanning file :024000 Run Format............ from record 1 24000 80A 480A 30F 25F 30F 15F 55F 15F + 1 x ( 1600J ) End of file after 304 records2. Simple Scan
For each scan the monitor and time and scan variables are stored with the data within each frameis1 44% anadat 029200 anadat - version 2.1 August 1997 (R.E. Ghosh) Scanning file :029200 Run Format............ from record 1 9201 80A 480A 30F 25F 30F 15F 55F 15F + 72 x ( 26F 1600J ) End of file after 13942 records The additional 26F field contains scan parameters as follows: SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS 72 0 72 29000 0 1 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 26 6 SequenceType NbofSegment SegmentNo NbOfDataSet DataSet MonitorCnts CntTime (sec) D19 RtrPower (MW) OS (0/1) SamEnvType Tset (k) Treg (k) Tsample (k) 2theta Omega (deg) Chi (deg) Phi (deg) Tr1 (mm) Tr2 (mm) Volt1 (V) Volt2 (V) Volt3 (V) Volt4 (V) Volt5 (V) TimeStep 6.00000000e+00 7.20000000e+01 7.20000000e+01 0.00000000e+00 0.00000000e+00 2.44816000e+05 3.00007280e+07 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2.36408215e-38 2.36142753e-38 2.35884466e-38 2.99896660e+01 8.30039978e+01 9.99950027e+01 3.57502014e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 JJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJ 1600 03. Stroboscopic/cyclic/kinetic measurementsis1 42% anadat 023000 anadat - version 2.1 August 1997 (R.E. Ghosh) Scanning file :023000 Run Format............ from record 1 23000 80A 480A 30F 25F 30F 15F 55F 15F + 2 x ( 5F 1600J ) End of file after 516 records The additional 5F field contains frame information from the electronics:SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS 2 0 2 23000 0 1 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 5 1 TimeSlice Time_Delay Time_Window Monitor_slice SliceCountTime 3.20000000e+05 8.00000000e+03 1.60000000e+05 0.00000000e+00 4.00010000e+04 JJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJ 1600 0 0 0 0 0 0 0 0 0 1 0 0 0 2 2 0 1IND20 is a Fortran callable routine for reading these data and may be found in /usr/ill/lib/ind20.oD4 Liquids Diffractometer
An annotated data file follows:
RRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRRR 018983 1 1 ILL neutron diffraction data AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 80 0 D4 EXPTNAME 22-MAR-95 10:56:50 AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 400 0 SAMPLE NAME/DESCRIPTION PRINCIPAL INVESTIGATOR / GROUP MEMBERS PROPOSAL NUMBER / EXPERIMENT TITLE LOCAL CONTACT STARTTIME OF NUMOR ... STOPTIME OF NUMOR FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 35 8 DETECTOR AND SCAN PARAMETERS: Monitor cts Cts time (sec) Trig M(1)/T(2) Det (1,2 or 3) Lambda (A) Step number Total steps ScanType Delta (deg) (spare) TH1 (deg) Scanmin1 (deg) Scanmax1 (deg) Scanstp1 (deg) SD1 (mm) TH2 (deg) Scanmin2 (deg) Scanmax2 (deg) Scanstp2 (deg) SD2 (mm) BeamLo1 (deg) BeamHi1 (deg) Vanode1 (V) Vcathode1 (V) MinBoum (deg) BeamLo2 (deg) BeamHi2 (deg) Vanode2 (V) Vcathode2 (V) MaxBoum (deg) Omega (deg) ScanminO (deg) ScanmaxO (deg) ScanstpO (deg) (spare) 100000.0 98.7 1.0 3.0 0.7 4.0 11.0 3.0 0.0 0.0 33.0 30.0 40.0 1.0 0.727 93.0 90.0 100.0 1.0 1.455 -2.5 2.5 1200.0 -300.0 45.0 -1.5 1.5 1200.0 -300.0 230.0 22.3 0.0 0.0 0.0 0.0 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 20 5 SAMPLE ENVIRONMENT AND REACTOR PARAMETERS: Tsample (K) Tcontrol (K) Tambient (K) Pfourreau (tr) Pcollim (tr) Pcloche (tr) Pcryo (tr) Ioven (A) TCtype (spare) ReactorCycle RtrPower (MW) Thotsrc (K) Lohengrin (spare) Voltage1 (V) Voltage2 (V) Voltage3 (V) Voltage4 (V) Voltage5 (V) 97.12 97.0 295.2 0.0021 0.0013 0.0011 0.000043 1.23 1.0 0.0 911.0 57.0 3200.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 20 5 MONOCHROMATOR, SLITS AND FILTERS: A1 (coder) A2 (coder) CH (coder) RM (coder) TM (coder) A1zero (coder) A2zero (coder) CHzero (coder) RMzero (coder) TMzero (coder) GM (coder) Rslit (mm) Tslit (mm) FilterCdIn FilterIr GMzero (coder) Lslit (mm) Bslit (mm) FilterRh (spare) 2343.0 54334.0 13423.0 9798.0 24358.0 3.0 -14.0 22.0 7.0 32.0 98743.0 55.0 230.0 1.0 0.0 -113.0 -55.0 -230.0 0.0 0.0 FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF 45 10 MOTOR PARAMETERS (TH1, TH2, OME): Station1 ButMin1 (deg) ButMax1 (deg) Zero1 (deg) FLOff1 (deg) Prc1 (deg/100) NumTries1 MaxTries1 EncoderCorr1 MaxSpeed1 LimitI1 P1 I1 D1 Plage1 Station2 ButMin2 (deg) ButMax2 (deg) Zero2 (deg) FLOff2 (deg) Prc2 (deg/100) NumTries2 MaxTries2 EncoderCorr2 MaxSpeed2 LimitI2 P2 I2 D2 Plage2 Station3 ButMin3 (deg) ButMax3 (deg) Zero3 (deg) FLOff3 (deg) Prc3 (deg/100) EncoderCorr3 Acceler3 StartSpeed3 EndSpeed3 Plage3 (spare) (spare) (spare) (spare) 17.0 3.0 80.0 0.0 -100.0 0.0 1.0 3.0 0.0 1000.0 144.0 1.0 35.0 8.0 255.0 18.0 48.0 130.0 0.0 -100.0 0.0 0.0 3.0 0.0 1000.0 128.0 1.0 80.0 8.0 255.0 19.0 2.0 340.0 0.0 0.0 0.0 0.0 1.0 2.0 2.0 255.0 0.0 0.0 0.0 0.0 SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS 1 1 2 018983 0 IIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIII 64 1 Detector 1 counts (channels 1 to 64, descending in angle): 25 34 83 21 9 32 19 87 223 23 17 8 1 0 11 10 7 13 17 7 11 22 56 145 333 217 113 99 44 38 25 34 83 21 9 32 19 87 223 23 17 8 1 0 11 10 7 13 17 7 11 22 56 145 333 217 113 99 44 38 17 8 1 0 SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS 2 0 2 018983 0 IIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIII 64 1 Detector 2 counts (channels 1 to 64, descending in angle): 11 22 56 145 333 217 113 99 44 38 25 34 83 21 9 32 19 87 223 23 17 8 1 0 11 10 7 13 17 7 11 22 56 145 333 217 113 99 44 38 25 34 83 21 9 32 19 87 223 23 17 8 1 0 11 10 7 13 17 7 25 34 83 21
Notes:
a) Motor Parameters
These are TH1 (15), TH2 (15) and OM (11), taken from the file MOT. Not all can be modified or listed by MAD. Numtries1 and Numtries2 are the actual number of attempts made to position in the external positioning loop for motors TH1 and TH2.
b) Boum!
These six parameters (in degrees) are derived from others. BeamLo1, and BeamH1 designate the limits of the main beam which the detector1 must avoid, similarly for the second detector, BeamLo2, Beamhi2. MinBoum is the difference in angle between the two detectors to avoid collisions (typically 30, 45 or 60 degrees), and MaxBoum is the largest angle permitted between the two arms (to avoid the coders being caught in a pincer action).
c) Monochromator
The twelve parameters (stored in the IN1 files) cannot be changed by MAD on D4. There are six rotation/translation values for the monochromator turret, and translation, together with their corresponding zero-offsets.
d) Slits and Filters
These are at present set manually by the user. The slits and sample-detector distances, SD1, and SD2 are used to calculate the BOUM! factors. The slits have coders, which read in mm/100, but are not at present computer readable. The three filter flags correspond to the cadmium, iridium, or rhodium filters being in use, or not.
e) Reactor parameters, Lohengrin
The reactor power is recorded together with the status of Lohengrin (PN1) which can interfere with D4 when it is operating in certain modes.
f) Detector voltages
The anode and cathode voltages are recorded for the each detector.
g) Sample environment
Tsample (K) Tcontrol (K) Tambient (K) Pfourreau (tr) Pcollim (tr) Pcloche (tr) Pcryo (tr) Ioven (A) TCtype Five additional voltages are recorded Voltage1 (V) Voltage2 (V) Voltage3 (V) Voltage4 (V) Voltage5 (V)h) Other parametersWavelength (A) added by hand (typically 0.3, 0.5 or 0.7A)Note:ScanType Four possibilities: 1 (scan TH1), 2 (scan TH2), 3 (scan THE (both)) 4 (scan Omega (detectors fixed) SD1, SD2 the permitted values are 728, 1455, or 2910mm. Trig M(1)/T(2) indicates whether the scan duration is based on time or flux. Det (1,2 or 3) indicates whether detector 1 or 2 is operational, or both (3) Delta(deg) a fourth motor when in use.
Certain parameters cannot at present be entered in the data. At present these values are set to -0.66666600E+06.
Information from H. Fischer (September 1994)