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ADDPAT
: Create powder pattern bdf
Authors: Gert Kruger, Syd
Hall
Contact: Syd Hall,
Crystallography Centre, University of Western Australia,
Nedlands 6907, Australia
ADDPAT generates a powder diffraction pattern
binary file from a variety of instrumental data
files.
Powder patterns can be read in from:
RAW DATA FILE as of 12-DEC-91 16:23
PW1700 Automated Powder Diffractometer System 1
<newline>
Listed RD file name : [300,7]BARKH3.RD
Sample identification : kaapse hoop barb/sti
Measurement date/time : 11-DEC-91 11:12
Generator settings : 40 kV, 40 mA
Co alpha1,2 wavelengths : 1.78896, 1.79284 Ang
Step size, sample time : 0.020 deg, 15.00 s, 750.00 s/deg
Monochromator used : Yes
Divergence slit : Fixed (1/2 deg)
<newline>
Analysis program number : 7
File angle range : 10.000 - 80.000 deg
Range in D spacing : 1.39156 - 10.2630 Ang
Maximum intensity : 473895. cts, 31593.0 cps
<newline>
Angle Counts
------------------------------------------------------------------------
10.0000 437. 396. 416. 454.
433.
10.1000 433. 458. 462. 433.
493.
10.2000 449. 458. 433. 445.
480.
10.3000 428. 424. 384. 412.
454.
10.4000 400. 441. 437. 433.
388.
10.5000 462. 441. 437. 462.
471.
10.6000 441. 412. 412. 437.
462.
10.7000 437. 408. 424. 441.
420.
10.8000 445. 502. 433. 416.
428.
10.9000 454. 396. 428. 420.
433.
SampleIdent,qzstd8,/
Title1,J Gutzmer,/
Title2,PC-APD, Diffraction software,/
DiffrType,PW1710,/
DiffrNumber,1,/
Anode,Fe,/
LabdaAlpha1, 1.93604,/
LabdaAlpha2, 1.93998,/
RatioAlpha21, 0.50000,/
DivergenceSlit,Fixed,1/2,/
ReceivingSlit,0.2,/
MonochromatorUsed,YES ,/
GeneratorVoltage, 40,/
TubeCurrent, 40,/
FileDateTime, 3-mar-1994 18:04,/
DataAngleRange, 3.0000, 130.0000,/
ScanStepSize, 0.020,/
ScanType,STEP,/
ScanStepTime, 5.00,/
RawScan
681, 640, 708, 692, 630, 625, 620,
615
615, 595, 581, 576, 595, 595, 581,
581
586, 586, 552, 529, 524, 552, 534,
538
12.46 2. 1. 12.48 1. 1. 12.50 1. 1. 12.52
1. 1.
12.54 3. 1. 12.56 3. 1. 12.58 3. 1. 12.60
5. 2.
12.62 5. 2. 12.64 -2. 2. 12.66 -1. 2. 12.68
3. 2.
12.70 3. 2. 12.72 5. 2. 12.74 9. 2. 12.76
5. 2.
12.78 10. 3. 12.80 12. 3. 12.82 8. 3. 12.84
9. 3.
12.86 14. 4. 12.88 26. 4. 12.90 22. 5. 12.92
35. 6.
20.120 .020 60.100 PS999RF 24AP90 QUARTZ, 6-7-86 T=10
20.120
30 34 44 37 35 25 29 46
20.260
42 34 40 35 21 39 43 30
20.420
48 44 52 44 50 46 47 56
20.580
64 62 86 79 103 124 197 257
20.740
484 831 1558 2478 3169 3185 2534 1828
20.900
1217 661 263 173 128 79 88 68
21.060
; A:\AH-a26-9d.RAW(Diffrac Plus V1.01 file) converted by XCH V1.0
_FILEVERSION=2
_SAMPLE='[Co(NH3)6][Ce(dipic)3] RAW'
_+SAMPLE='Line 1Line 2'
_SITE='SRCAMMPChemistry Department, University of Western
Australia'
_USER='SRCAMMP'
_GONIOMETER_CODE=0
; D5000 Theta/2Theta; Standard
_SAMPLE_CHANGER_CODE=0
_ATTACHMENTS_CODE=0
_GONIOMETER_RADIUS=217.500000
_FIXED_DIVSLIT=2.000000
_FIXED_SAMPLESLIT=2.000000
_SOLLER_SLITS='N'
_FIXED_DETSLIT=1.000000
_MONOCHROMATOR=0
; None
_SOLLER_SLITS_2='Y'
_THIN_FILM='N'
_BETA_FILTER='N'
_FIXED_ANTISLIT=1.000000
_RUNTIME=2752.000000
_WL_UNIT='A'
_WL1=1.540560
_WL2=1.544390
_WL3=1.392220
_WLRATIO=0.500000
_ANODE='Cu'
; (Data for Range number 1)
_DRIVE='COUPLED'
_STEPTIME=2.000000
_STEPSIZE=0.040000
_STEPMODE='C'
_START=5.000000
_THETA=2.500000
_2THETA=5.000000
_PHI=0.000000
_DIVERGENCE=1.000000
_ANTISCATTER=1.000000
_DETECTOR=1
; S.C.
_HV=950.000000
_GAIN=2.000000
_LLD=0.500000
_ULD=2.000000
_DETECTORSLIT='out'
_AUX1=0.000000
_AUX2=0.000000
_AUX3=0.000000
_TIMESTARTED=2.703000
_TEMPERATURE=299.839996
_TEMP_RATE=0.000000
_TEMP_DELAY=0.000000
_KV=40
_MA=35
_RANGE_WL=1.540560
_3DPLANE=1
_2THETACOUNTS
5.0000 121
5.0400 105
5.0800 124
5.1200 105
5.1600 99
...
59.8000 37
59.8400 35
59.8800 38
59.9200 34
59.9600 42
60.0000 37
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