**** MULTI-RIETVELD ANALYSIS PROGRAM LH-RIET 8.

100
A New refinement
NUMBER OF PHASES = 1
NUMBER OF HISTOGRAMS = 1
NUMBER OF PARAMETER LIMITS = 0
NUMBER OF BOND RESTRAINTS = 0

*** HISTOGRAM 1 ***

FOR X-RAY DATA
NEWTON-RAPHSON ALGORITHM
BACKGROUND TO BE REFINED (MAX 12 PARAMETERS)
- POLYNOMIAL BACKGROUND
THE VOIGT PROFILE FUNCTION WAS SELECTED
- USING THE HOWARD, SUM OF 5 PEAKS, ASYMMETRY
WAVELENGTHS = 1.54051 1.54433
ALPHA2:ALPHA1 RATIO = 0.5000
BASE OF PEAK = 2.0*HW* 7.00
MONOCHROMATOR CORRECTION = 1.0000
ABSORPTION CORRECTION FOR CYLINDER SAMPLE
USING ALGORITHM OF SABINE(1996)/DWIGGINS(1972) WITH mu = 0.0000
NO ILLUMINATION CORRECTION
PREFERRED ORIENTATION USING MARCH MODEL - NO SUMMING OF EQUIVALENTS
HISTOGRAM WEIGHTING = 1.0000
USING BRAGG-BRENTANO SAMPLE DISPLACEMENT

GENERATE OFF-LINE PLOT

- ILL PLOT FILE OF OBS AND CALC DATA
OUTPUT STRUCTURE FACTORS
OUTPUT CORRELATION MATRIX
GENERATE NEW INPUT FILE
NUMBER OF CYCLES = 30
RELAXATION FACTORS:
FOR COORDINATES, ISOTROPIC B, SITE OCCUPANCY = 0.90
FOR ANISOTROPIC TEMPERATURE FACTORS = 0.90
FOR SCALE, ZERO, B OVERALL, UNIT CELL, PREFERRED ORIENTATION BACKGROUND = 0.90
FOR PEAK WIDTH, ASYMMETRY, SHAPE PARAMETERS = 0.90
EPS-VALUE = 0.100

NUMBER OF PARAMETERS VARIED = 12

GLOBAL PARAMETERS AND CODEWORDS:

ZEROPOINT( 1) = 0.00 0.00
SAMPLE DISPLACEMENT( 1) = -0.67291 11.00
HISTOGRAM READ IN AS (2THETA, INTENSITY, W(INTENSITY)
HISTOGRAM 1 FROM 20.000000 TO 79.959999 IN STEPS OF 0.040000 DEGREES

BACKGROUND PARAMETERS AND CODEWORDS( 1)

8569.969727 -982.434998 46.028702 -0.982758 0.009787 -0.000037
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
21.000000 31.000000 41.000000 51.000000 61.000000 71.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000

****** PHASE 1 *******

Cu

DELTA-A/A MODEL BEING USED FOR PHASE 1,HISTOGRAM 1

PHASE IS CALCULATED USING LE BAIL EXTRACTION
NUMBER OF FORMULA PER UNIT CELL = 4
NUMBER OF ATOMS = 0
PREFERRED ORIENTATION VECTOR( 1) = 0.0000 0.0000 1.0000
THE SPACE GROUP IS F M 3 M

***** PHASE INFORMATION *****

OVERALL SCALE FACTOR =0.100000E-01
OVERALL TEMP. FACTOR = 0.00000
DIRECT CELL PARAMETERS = 3.6168 3.6168 3.6168 90.0000 90.0000 90.0000

*** HISTOGRAM 1 ***

HISTOGRAM SCALE FACTOR = 1.00000 0.00
PREFERRED ORIENTATION PARAMETER = 1.0000
ABSORPTION R = 0.0000
ASYMMETRY PARAMETERS = 0.010000 0.000000
GAUSSIAN HALF-WIDTH PARAMETERS = 0.3300 -0.4000 0.3300
ANISOTROPIC PARAMETER = 0.000100
VOIGT PEAK SHAPE = -0.0827 0.0000
 EXTINCTION PARAMETER = 0.000000
The Laue symmetry is: M3M

***** PHASE INFORMATION CODEWORDS *****

OVERALL SCALE FACTOR = 0.00
OVERALL TEMP. FACTOR = 0.00
CELL CONSTANTS = 111.00 111.00 111.00 0.00 0.00 0.00

*** HISTROGRAM 1 CODEWORDS ***

PREFERRED ORIENTATION PARAMETER = 0.00
ABSORPTION R/Po PARAMETER = 0.00
ASYMMETRY PARAMETERS = 0.00 0.00
GAUSSIAN COMPONENT = 81.00 91.00 101.00
ANISOTROPIC = 0.00
VOIGT LORENZTIAN COMPONENTS = 121.00 0.00
0.00
EXTINCTION = 0.00
LAUE SYMMETRY M3M WILL BE USED TO GENERATE INDICES

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++

CYCLE NUMBER= 1

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.616812 0.000012 0.000768
3.616812 0.000012 0.000768
3.616812 0.000012 0.000768
90.000008 0.000008 0.000000
90.000008 0.000008 0.000000
90.000008 0.000008 0.000000
RECIPROCAL CELL = 0.276 0.276 0.276 90.000 90.000 90.000
CELL VOLUME = 47.312698 0.017402
SCALE * VOLUME = 0.473127 0.000174
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.00000 0.00000 0.00000

SAMPLE DISPLACEMENT = -0.67336 -0.00046 0.02085

BACKGROUND PARAMETER B 0 = 8619.18 49.2088 574.944

BACKGROUND PARAMETER B 1 = -987.493 -5.05845 70.9545
BACKGROUND PARAMETER B 2 = 46.1911 0.162432 3.41336
BACKGROUND PARAMETER B 3 = -0.984184 -0.142625E-02 0.799665E-01
BACKGROUND PARAMETER B 4 = 0.977717E-02 -0.983223E-05 0.908664E-03
BACKGROUND PARAMETER B 5 = -0.367366E-04 0.142957E-06 0.398857E-05
PREFERRED ORIENTATION = 1.00000 0.00000 0.00000
ABSORPTION R = 0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS = 0.01000 0.00000 0.00000
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.337346 0.007346 0.299350
V = -0.409299 -0.009299 0.328937
W = 0.330662 0.000662 0.084268
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000
LORENZTIAN COMPONENTS = -0.082989 -0.000289 0.005716
0.000000 0.000000 0.000000
0.000000 0.000000 0.000000
EQUIVALENT TO A PARTICLE SIZE OF -1063.6( 73.2) ANGSTROMS
 EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |
+------------------------------------------------------------------------------------------+
| 1 | 7.54 | 14.10 | 2.19 | 12.20 | 2.24 |*********** | 0.099 | 1488 |
+------------------------------------------------------------------------------------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1607E+06| 0.2132E+07| 0.2126E+07| 0.2968E+07| 0.3967E+02| 0.3542E+22 |
+------------------------------------------------------------------------+

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++

CYCLE NUMBER= 2

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.616830 0.000018 0.000758
3.616830 0.000018 0.000758
3.616830 0.000018 0.000758
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
RECIPROCAL CELL = 0.276 0.276 0.276 90.000 90.000 90.000
CELL VOLUME = 47.313400 0.017185
SCALE * VOLUME = 0.473134 0.000172
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.00000 0.00000 0.00000

SAMPLE DISPLACEMENT = -0.67392 -0.00055 0.02060

BACKGROUND PARAMETER B 0 = 8637.32 18.1418 574.542

BACKGROUND PARAMETER B 1 = -990.059 -2.56511 70.8743
BACKGROUND PARAMETER B 2 = 46.3322 0.141068 3.40783
BACKGROUND PARAMETER B 3 = -0.987901 -0.371631E-02 0.798025E-01
BACKGROUND PARAMETER B 4 = 0.982312E-02 0.459487E-04 0.906553E-03
BACKGROUND PARAMETER B 5 = -0.369494E-04 -0.212725E-06 0.397886E-05
PREFERRED ORIENTATION = 1.00000 0.00000 0.00000
ABSORPTION R = 0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS = 0.01000 0.00000 0.00000
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.336744 -0.000602 0.292341
V = -0.408384 0.000915 0.321349
W = 0.329276 -0.001386 0.082348
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000
LORENZTIAN COMPONENTS = -0.082194 0.000795 0.005644
0.000000 0.000000 0.000000
0.000000 0.000000 0.000000
EQUIVALENT TO A PARTICLE SIZE OF -1073.9( 73.7) ANGSTROMS

EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |
+------------------------------------------------------------------------------------------+
| 1 | 7.69 | 14.09 | 4.41 | 12.18 | 2.24 |*********** | 0.099 | 1488 |
+------------------------------------------------------------------------------------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1640E+06| 0.2132E+07| 0.2135E+07| 0.2968E+07| 0.3963E+02| 0.3540E+22 |
+------------------------------------------------------------------------+

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++

CYCLE NUMBER= 3

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.616844 0.000014 0.000759
3.616844 0.000014 0.000759
3.616844 0.000014 0.000759
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
RECIPROCAL CELL = 0.276 0.276 0.276 90.000 90.000 90.000
CELL VOLUME = 47.313950 0.017205
SCALE * VOLUME = 0.473139 0.000172
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.00000 0.00000 0.00000

SAMPLE DISPLACEMENT = -0.67435 -0.00043 0.02062

BACKGROUND PARAMETER B 0 = 8648.24 10.9146 574.666

BACKGROUND PARAMETER B 1 = -991.495 -1.43670 70.9128
BACKGROUND PARAMETER B 2 = 46.4071 0.748956E-01 3.41103
BACKGROUND PARAMETER B 3 = -0.989816 -0.191549E-02 0.799067E-01
BACKGROUND PARAMETER B 4 = 0.984649E-02 0.233749E-04 0.907966E-03
BACKGROUND PARAMETER B 5 = -0.370571E-04 -0.107744E-06 0.398556E-05
PREFERRED ORIENTATION = 1.00000 0.00000 0.00000
ABSORPTION R = 0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS = 0.01000 0.00000 0.00000
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.339345 0.002602 0.294145
V = -0.411744 -0.003359 0.323319
W = 0.329880 0.000604 0.082842
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000
LORENZTIAN COMPONENTS = -0.082556 -0.000362 0.005651
0.000000 0.000000 0.000000
0.000000 0.000000 0.000000
EQUIVALENT TO A PARTICLE SIZE OF -1069.1( 73.2) ANGSTROMS

EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |
+------------------------------------------------------------------------------------------+
| 1 | 7.67 | 14.09 | 6.62 | 12.18 | 2.24 |*********** | 0.099 | 1488 |
+------------------------------------------------------------------------------------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1636E+06| 0.2132E+07| 0.2133E+07| 0.2968E+07| 0.3963E+02| 0.3542E+22 |
+------------------------------------------------------------------------+

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++

CYCLE NUMBER= 4

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.616859 0.000015 0.000757
3.616859 0.000015 0.000757
3.616859 0.000015 0.000757
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
RECIPROCAL CELL = 0.276 0.276 0.276 90.000 90.000 90.000
CELL VOLUME = 47.314552 0.017157
SCALE * VOLUME = 0.473146 0.000172
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.00000 0.00000 0.00000

SAMPLE DISPLACEMENT = -0.67479 -0.00044 0.02056

BACKGROUND PARAMETER B 0 = 8655.21 6.97420 574.486

BACKGROUND PARAMETER B 1 = -992.467 -0.971228 70.8516
BACKGROUND PARAMETER B 2 = 46.4601 0.530336E-01 3.40600
BACKGROUND PARAMETER B 3 = -0.991214 -0.139766E-02 0.797476E-01
BACKGROUND PARAMETER B 4 = 0.986383E-02 0.173390E-04 0.905867E-03
BACKGROUND PARAMETER B 5 = -0.371377E-04 -0.805503E-07 0.397584E-05
PREFERRED ORIENTATION = 1.00000 0.00000 0.00000
ABSORPTION R = 0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS = 0.01000 0.00000 0.00000
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.342145 0.002800 0.293555
V = -0.415654 -0.003911 0.322730
W = 0.330830 0.000950 0.082693
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000
LORENZTIAN COMPONENTS = -0.082513 0.000044 0.005628
0.000000 0.000000 0.000000
0.000000 0.000000 0.000000
EQUIVALENT TO A PARTICLE SIZE OF -1069.7( 73.0) ANGSTROMS

EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |
+------------------------------------------------------------------------------------------+
| 1 | 7.66 | 14.09 | 8.83 | 12.18 | 2.24 |*********** | 0.099 | 1488 |
+------------------------------------------------------------------------------------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1634E+06| 0.2132E+07| 0.2133E+07| 0.2968E+07| 0.3963E+02| 0.3540E+22 |
+------------------------------------------------------------------------+

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++

CYCLE NUMBER= 5

+----------------------------------------------------+
| Phase: 1 |
+----------------------------------------------------+
PHASE SCALE FACTOR = 0.100000E-01 0.000000 0.000000
OVERALL TEMP. FACTOR = 0.000000 0.000000 0.000000
CELL PARAMETERS = 3.616872 0.000013 0.000757
3.616872 0.000013 0.000757
3.616872 0.000013 0.000757
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
90.000008 0.000000 0.000000
RECIPROCAL CELL = 0.276 0.276 0.276 90.000 90.000 90.000
CELL VOLUME = 47.315048 0.017147
SCALE * VOLUME = 0.473150 0.000171
MOLECULAR WEIGHT = 0.000
DENSITY = 0.000
NOTE: CHECK Z VALUE or N's- DENSITY NOT PHYSICAL
ABSOLUTE PHASE VALUES:
INC = NEUTRONS ON SAMPLE/CM^2 ( in cm^-2)
MASS = MASS OF PHASE IN BEAM (in g)
ls/R = RATIO OF DETECTOR HEIGHT TO SAMPLE-DETECTOR
Then:
INC*MASS*ls/R = 0.000000

+----------------------------------------------------+
| Histogram: 1 |
+----------------------------------------------------+
SCALE FACTOR = 1.0000 0.00000 0.00000
ZEROPOINT = 0.00000 0.00000 0.00000

SAMPLE DISPLACEMENT = -0.67514 -0.00035 0.02055

BACKGROUND PARAMETER B 0 =
8660.58 5.37517 574.658
BACKGROUND PARAMETER B 1 =
-993.173 -0.706041 70.9094
BACKGROUND PARAMETER B 2 =
46.4960 0.358545E-01 3.41070
BACKGROUND PARAMETER B 3 =
-0.992090 -0.876737E-03 0.798955E-01
BACKGROUND PARAMETER B 4 =
0.987404E-02 0.102058E-04 0.907813E-03
BACKGROUND PARAMETER B 5 =
-0.371828E-04 -0.451184E-07 0.398484E-05
PREFERRED ORIENTATION =
1.00000 0.00000 0.00000
ABSORPTION R =
0.00000 0.00000 0.00000
ASYMMETRY PARAMETERS =
0.01000 0.00000 0.00000
0.00000 0.00000 0.00000
HALFWIDTH PARAMETERS U = 0.343641 0.001496 0.292320
V = -0.417784 -0.002130 0.321359
W = 0.331430 0.000600 0.082348
ANISOTROPIC GAUSSIAN BROADENING = 0.000100 0.000000 0.000000
LORENZTIAN COMPONENTS = -0.082687 -0.000175 0.005627
0.000000 0.000000 0.000000
0.000000 0.000000 0.000000
EQUIVALENT TO A PARTICLE SIZE OF -1067.5( 72.6) ANGSTROMS

EXTINCTION PARAMETER = 0.000000 0.000000 0.000000

+------------------------------------------------------------------------------------------+
| Hist | Rp | Rwp | Rp(-b) | Rwp(-b)| Rexp |Durbin Unwght| Durbin Wght | N-P |
+------------------------------------------------------------------------------------------+
| 1 | 7.66 | 14.09 | 11.05 | 12.18 | 2.24 |*********** | 0.099 | 1488 |
+------------------------------------------------------------------------------------------+
| SUMYDIF | SUMYOBS | SUMYCALC | SUMWYOBSSQ | GOF | CONDITION |
+------------------------------------------------------------------------+
| 0.1633E+06| 0.2132E+07| 0.2133E+07| 0.2968E+07| 0.3963E+02| 0.3542E+22 |
+------------------------------------------------------------------------+

CORRELATION MATRIX=
1 2 3 4 5 6 7 8 9 10 11 12
1 100 0 0 1 0 1 0 0 0 0 99 0
2 0 100 -97 94 -86 79 -70 -2 3 -2 0 13
3 0 -97 100 -97 94 -87 82 6 -5 6 0 -9
4 1 94 -97 100 -98 95 -90 -8 9 -8 1 6
5 0 -86 94 -98 100 -98 96 12 -10 11 0 0
 6 1 79 -87 95 -98 100 -98 -13 14 -12 1 -4
7 0 -70 82 -90 96 -98 100 15 -14 14 -1 9
8 0 -2 6 -8 12 -13 15 100 -98 98 0 9
9 0 3 -5 9 -10 14 -14 -98 100 -99 0 -8
10 0 -2 6 -8 11 -12 14 98 -99 100 0 4
11 99 0 0 1 0 1 -1 0 0 0 100 0
12 0 13 -9 6 0 -4 9 9 -8 4 0 100
AVERAGE INTENSITY DIFFERENCE FOR PATTERN,
GIVEN FOR BLOCKS OF 20 OBSERVATIONS.
1 -53.5 2 -27.6 3 16.2 4 31.2 5 53.1 6 44.0 7 48.6 8 39.5 9
21.2 10 31.5
11 0.7 12 -8.1 13 -17.1 14 -65.8 15 -88.3 16 -94.5 17 -81.9 18 -99.9 19 -
99.9 20 -99.9
21 -97.7 22 -85.7 23 -99.9 24 170.0 25 999.9 26 -77.4 27 -99.9 28 -97.4 29 -
18.3 30 105.0
31 -99.9 32 146.8 33 403.5 34 -92.8 35 -99.9 36 -99.9 37 -99.9 38 -36.6 39
45.2 40 -20.4
41 -99.9 42 -98.3 43 -83.3 44 -74.2 45 -55.9 46 -58.4 47 -52.9 48 -38.5 49 -
29.7 50 -26.7
51 4.6 52 12.6 53 41.9 54 20.2 55 13.3 56 -0.3 57 23.1 58 241.3 59
198.6 60 28.8
61 5.6 62 -0.1 63 5.2 64 -13.6 65 -21.4 66 -22.7 67 -34.3 68 13.3 69
46.1 70 -47.3
71 -83.4 72 -99.9 73 -99.9 74 -99.9 75 254.4

NO. CODE H K L HW POSN ICALC COBS DIFF ESD

1 1 1 1 1 0.434 43.291 0. 0. 0.0 0.0
2 2 1 1 1 0.434 43.404 174523. 174503. -20.0 153.2
3 1 0 0 2 0.424 50.418 14. 14. 0.3 0.0
4 2 0 0 2 0.424 50.552 76774. 76751. -22.6 150.3
5 1 0 2 2 0.421 74.077 7227. 7168. -58.5 44.8
6 2 0 2 2 0.421 74.291 37528. 37542. 13.2 161.2
DERIVED BRAGG R-FACTOR= 0.04