Data from ILL Diffraction Instruments

Format and signification of experiment parameters and data

R. Ghosh, September 1997


D9, D10, D15, D19 Single Crystal Diffractometers

D20 Multi-detector Diffractometer

D4 Liquids Diffractometer


Single Crystal Diffractometers

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

D20 Multi-detector diffractometer

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
SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS

1. 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  records
2. Simple Scan
For each scan the monitor and time and scan variables are stored with the data within each frame
is1 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       0                                                                


3. Stroboscopic/cyclic/kinetic measurements
is1 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 1
IND20 is a Fortran callable routine for reading
these data and may be found in /usr/ill/lib/ind20.o




D4 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 parameters
Wavelength (A) added by hand (typically 0.3, 0.5 or 0.7A)

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.

Note:

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)