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Changeset 3277 for branches

Timestamp:

01/26/12 21:07:02 (4 months ago)

Author:

erkn

Message:

B4C.laz: fixed split file and [0-9]-[0-9] format (ugly Fortran)
Read-Table: fixed 'not monotonic' warning, and disply file name properly.
Plus other minor display enhancements.

Location:

branches/mcxtrace-1.0

Files:

: 5 modified

lib/share/read_table-lib.c (modified) (12 diffs)
lib/share/read_table-lib.h (modified) (1 diff)
nlib/data/B4C.laz (modified) (36 diffs)
nlib/optics/Monochromator_curved.comp (modified) (2 diffs)
nlib/samples/Isotropic_Sqw.comp (modified) (2 diffs)

Legend:

: Unmodified
: Added
: Removed

branches/mcxtrace-1.0/lib/share/read_table-lib.c

r3141	r3277
17	17	* This file is to be imported by components that may read data from table files
18	18	* It handles some shared functions. Embedded within instrument in runtime mode.
19		* Variable names have prefix '' for 'McStas Read Table' to avoid conflicts
20	19	*
21	20	* Usage: within SHARE
…	…
68	67	long begin;
69	68	long filesize=0;
	69	char name[256];
70	70	struct stat stfile;
71	71
…	…
123	123	if (offset && offset) fseek(hfile, offset, SEEK_SET);
124	124	begin = ftell(hfile);
125		nelements = Table_Read_Handle(Table, hfile, block_number, max_lines);
126		strncpy(Table->filename, File, 128);
	125	if (offset && offset) sprintf(name, "%s@%li", File, offset);
	126	else strncpy(name, File, 128);
	127	nelements = Table_Read_Handle(Table, hfile, block_number, max_lines, name);
127	128	Table->begin = begin;
128	129	Table->end = ftell(hfile);
129	130	Table->filesize = (filesize>0 ? filesize : 0);
	131	Table_Stat(Table);
130	132	if (offset) *offset=Table->end;
131	133	fclose(hfile);
…	…
262	264
263	265	/*******************************************************************************
264		* long ~~Read_Table_Handle(t_Table Table, FILE fid, int block_number, long max_lines~~)
	266	* long Table_Read_Handle(t_Table Table, FILE fid, int block_number, long max_lines, char *name)
265	267	* ACTION: read a single Table from a text file handle (private)
266	268	* input Table:pointer to a t_Table structure
…	…
279	281	*******************************************************************************/
280	282	long Table_Read_Handle(t_Table Table, FILE hfile,
281		long block_number, long max_lines)
	283	long block_number, long max_lines, char *name)
282	284	{ /* reads all/a data block from 'file' handle and returns a Table structure */
283	285	double *Data;
…	…
294	296	if (!Table) return(-1);
295	297	Table_Init(Table, 0, 0);
	298	if (name && strlen(name)) strcpy(Table->filename, name);
296	299
297	300	if(!hfile) {
…	…
454	457	Table->columns = Columns;
455	458
456		~~Table_Stat(Table);~~
457	459	return (count_in_array);
458	460
…	…
774	776	min_x = FLT_MAX;
775	777	n = (row ? Table->rows : Table->columns);
776
777	778	/* get min and max of first column/vector */
778	779	for (i=0; i < n; i++)
…	…
797	798	if (fabs(diff) < fabs(step)) step = diff;
798	799	/* change sign ? */
799		if ((~~Table->max_x - Table->~~min_x)*diff < 0 && monotonic)
	800	if ((max_x - min_x)*diff < 0 && monotonic)
800	801	monotonic = 0;
801	802	} /* end for */
…	…
811	812	diff = (row ? Table_Index(*Table,i+1,0)
812	813	: Table_Index(*Table,0, i+1)) - X;
813		if ( fabs(step)*(1-READ_TABLE_STEPTOL) < fabs(diff) \|\|
814		fabs(diff) < fabs(step)*(1+READ_TABLE_STEPTOL) )
	814	if ( fabs(step)*(1+READ_TABLE_STEPTOL) < fabs(diff) \|\|
	815	fabs(diff) < fabs(step)*(1-READ_TABLE_STEPTOL) )
815	816	{ constantstep = 0; break; }
816	817	}
…	…
852	853
853	854	/* access file at offset and get following block */
854		nelements = Table_Read_Offset(&Table, File, 1,
855		&offset,0);
	855	nelements = Table_Read_Offset(&Table, File, 1, &offset,0);
856	856	/* if ok, set t_Table block number else exit loop */
857	857	block_number++;
…	…
870	870	}
871	871	/* store it into t_Table array */
	872	sprintf(Table.filename, "%s#%li", File, block_number-1);
872	873	Table_Array[block_number-1] = Table;
873	874	/* continues until we find an empty block */

branches/mcxtrace-1.0/lib/share/read_table-lib.h

r3100	r3277
107	107
108	108	/* private functions */
109
110	109	void Table_Free(t_Table *Table);
111		long Table_Read_Handle(t_Table Table, FILE fid, long block_number, long max_lines);
	110	long Table_Read_Handle(t_Table Table, FILE fid, long block_number, long max_lines, char *name);
112	111	static void Table_Stat(t_Table *Table);
113	112	double Table_Interp1d(double x, double x1, double y1, double x2, double y2);

branches/mcxtrace-1.0/nlib/data/B4C.laz

r2948	r3277
89	89	4 0 4 26.32 52.64 1.1277 0.7864 196.60 4 0 4 8.4 2.1 -2.12 0.00 180.00 6 5.67
90	90	2 3 -1 26.77 53.55 1.1099 0.8117 202.93 2 3 -1 39.6 4.7 -4.67 0.00 180.00 6 5.52
91		1
92
93		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
94
95	91	3 2 1 26.77 53.55 1.1099 0.8117 202.93 3 2 1 39.6 4.7 -4.67 0.00 180.00 6 5.52
96	92	2 3 2 27.14 54.27 1.0963 0.8321 208.02 2 3 2 7.9 2.1 2.11 0.00 0.00 6 5.40
…	…
114	110	2 3 5 29.58 59.16 1.0130 0.9746 243.64 2 3 5 1.5 1.0 -0.99 0.00 180.00 6 4.72
115	111	2 1 10 29.59 59.17 1.0127 0.9751 243.77 2 1 10 3.4 1.5 -1.48 0.00 180.00 6 4.72
116		1 2~~-10 29.59 59.17 1.0127 0.9751 243.77 1 2~~-10 3.4 1.5 -1.48 0.00 180.00 6 4.72
	112	1 2 -10 29.59 59.17 1.0127 0.9751 243.77 1 2 -10 3.4 1.5 -1.48 0.00 180.00 6 4.72
117	113	0 0 12 29.62 59.24 1.0117 0.9771 244.27 0 0 12 0.1 0.3 0.33 0.00 0.00 2 4.71
118	114	3 1 8 29.75 59.50 1.0076 0.9850 246.25 3 1 8 100.1 8.1 8.07 0.00 0.00 6 4.68
…	…
125	121	5 0 2 31.41 62.82 0.9595 1.0863 271.57 5 0 2 4.7 1.8 1.81 0.00 0.00 6 4.31
126	122	1 1 12 31.69 63.39 0.9517 1.1042 276.04 1 1 12 14.5 3.2 -3.22 0.00 180.00 6 4.26
127		1 1~~-12 31.69 63.39 0.9517 1.1042 276.04 1 1~~-12 14.5 3.2 -3.22 0.00 180.00 6 4.26
	123	1 1 -12 31.69 63.39 0.9517 1.1042 276.04 1 1 -12 14.5 3.2 -3.22 0.00 180.00 6 4.26
128	124	0 4 8 31.82 63.64 0.9483 1.1121 278.03 0 4 8 127.0 9.6 -9.55 0.00 180.00 6 4.23
129		2 1~~-11 31.91 63.82 0.9459 1.1176 279.39 2 1~~-11 2.7 1.4 1.40 0.00 0.00 6 4.22
	125	2 1 -11 31.91 63.82 0.9459 1.1176 279.39 2 1 -11 2.7 1.4 1.40 0.00 0.00 6 4.22
130	126	1 2 11 31.91 63.82 0.9459 1.1176 279.39 1 2 11 2.7 1.4 1.40 0.00 0.00 6 4.22
131	127	4 1 -6 32.17 64.34 0.9391 1.1339 283.49 4 1 -6 6.3 2.1 2.14 0.00 0.00 6 4.17
…	…
145	141	4 2 2 33.42 66.84 0.9078 1.2134 303.34 4 2 2 95.5 8.6 8.58 0.00 0.00 6 3.95
146	142	5 0 5 33.66 67.32 0.9021 1.2288 307.19 5 0 5 32.4 5.0 5.02 0.00 0.00 6 3.91
147		3 1~~-10 33.67 67.33 0.9019 1.2293 307.32 3 1~~-10 42.0 5.7 5.72 0.00 0.00 6 3.91
	143	3 1 -10 33.67 67.33 0.9019 1.2293 307.32 3 1 -10 42.0 5.7 5.72 0.00 0.00 6 3.91
148	144	1 3 10 33.67 67.33 0.9019 1.2293 307.32 1 3 10 42.0 5.7 5.72 0.00 0.00 6 3.91
149	145	3 2 -8 33.82 67.64 0.8983 1.2392 309.80 3 2 -8 102.8 9.0 8.97 0.00 0.00 6 3.89
150	146	2 3 8 33.82 67.64 0.8983 1.2392 309.80 2 3 8 102.8 9.0 8.97 0.00 0.00 6 3.89
151	147	2 4 4 34.68 69.35 0.8788 1.2948 323.70 2 4 4 92.8 8.7 -8.67 0.00 180.00 6 3.76
152		1
153
154		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
155
156	148	4 2 -4 34.68 69.35 0.8788 1.2948 323.70 4 2 -4 92.8 8.7 -8.67 0.00 180.00 6 3.76
157	149	0 2 13 35.00 70.01 0.8717 1.3162 329.04 0 2 13 166.2 11.7 11.67 0.00 0.00 6 3.71
…	…
165	157	0 3 12 35.64 71.29 0.8580 1.3584 339.59 0 3 12 37.8 5.6 5.63 0.00 0.00 6 3.62
166	158	3 0 12 35.64 71.29 0.8580 1.3584 339.59 3 0 12 40.9 5.9 -5.86 0.00 180.00 6 3.62
167		1 3~~-11 35.85 71.69 0.8538 1.3718 342.94 1 3~~-11 62.7 7.3 -7.28 0.00 180.00 6 3.60
	159	1 3 -11 35.85 71.69 0.8538 1.3718 342.94 1 3 -11 62.7 7.3 -7.28 0.00 180.00 6 3.60
168	160	3 1 11 35.85 71.69 0.8538 1.3718 342.94 3 1 11 62.7 7.3 -7.28 0.00 180.00 6 3.60
169	161	0 1 14 35.85 71.71 0.8537 1.3723 343.07 0 1 14 83.1 8.4 -8.38 0.00 180.00 6 3.60
…	…
178	170	1 4 9 36.86 73.72 0.8335 1.4393 359.82 1 4 9 8.9 2.8 -2.79 0.00 180.00 6 3.47
179	171	2 1 13 36.92 73.84 0.8324 1.4433 360.81 2 1 13 1.1 1.0 1.00 0.00 0.00 6 3.47
180		1 2~~-13 36.92 73.84 0.8324 1.4433 360.81 1 2~~-13 1.1 1.0 1.00 0.00 0.00 6 3.47
	172	1 2 -13 36.92 73.84 0.8324 1.4433 360.81 1 2 -13 1.1 1.0 1.00 0.00 0.00 6 3.47
181	173	1 5 5 37.51 75.02 0.8212 1.4830 370.74 1 5 5 34.4 5.5 5.55 0.00 0.00 6 3.40
182	174	5 1 -5 37.51 75.02 0.8212 1.4830 370.74 5 1 -5 34.4 5.5 5.55 0.00 0.00 6 3.40
183	175	3 2 10 37.52 75.03 0.8210 1.4835 370.87 3 2 10 26.8 4.9 4.89 0.00 0.00 6 3.40
184		2 3~~-10 37.52 75.03 0.8210 1.4835 370.87 2 3~~-10 26.8 4.9 4.89 0.00 0.00 6 3.40
185		2 2~~-12 37.55 75.09 0.8205 1.4855 371.36 2 2~~-12 39.1 5.9 5.92 0.00 0.00 6 3.40
	176	2 3 -10 37.52 75.03 0.8210 1.4835 370.87 2 3 -10 26.8 4.9 4.89 0.00 0.00 6 3.40
	177	2 2 -12 37.55 75.09 0.8205 1.4855 371.36 2 2 -12 39.1 5.9 5.92 0.00 0.00 6 3.40
186	178	2 2 12 37.55 75.09 0.8205 1.4855 371.36 2 2 12 39.1 5.9 5.92 0.00 0.00 6 3.40
187	179	5 0 8 37.66 75.33 0.8183 1.4934 373.35 5 0 8 7.7 2.6 2.64 0.00 0.00 6 3.38
…	…
201	193	2 4 -8 39.53 79.06 0.7856 1.6205 405.12 2 4 -8 0.1 0.3 0.33 0.00 0.00 6 3.20
202	194	2 3 11 39.61 79.22 0.7842 1.6260 406.49 2 3 11 0.5 0.7 -0.70 0.00 180.00 6 3.19
203		3 2~~-11 39.61 79.22 0.7842 1.6260 406.49 3 2~~-11 0.5 0.7 -0.70 0.00 180.00 6 3.19
	195	3 2 -11 39.61 79.22 0.7842 1.6260 406.49 3 2 -11 0.5 0.7 -0.70 0.00 180.00 6 3.19
204	196	1 2 14 39.62 79.24 0.7841 1.6265 406.61 1 2 14 6.5 2.5 -2.49 0.00 180.00 6 3.19
205		2 1~~-14 39.62 79.24 0.7841 1.6265 406.61 2 1~~-14 6.5 2.5 -2.49 0.00 180.00 6 3.19
	197	2 1 -14 39.62 79.24 0.7841 1.6265 406.61 2 1 -14 6.5 2.5 -2.49 0.00 180.00 6 3.19
206	198	5 1 7 39.90 79.80 0.7795 1.6458 411.45 5 1 7 12.5 3.5 -3.46 0.00 180.00 6 3.17
207	199	1 5 -7 39.90 79.80 0.7795 1.6458 411.45 1 5 -7 12.5 3.5 -3.46 0.00 180.00 6 3.17
…	…
209	201	5 2 0 39.99 79.99 0.7780 1.6523 413.06 5 2 0 5.9 2.4 2.39 0.00 0.00 6 3.16
210	202	1 1 15 40.02 80.03 0.7776 1.6538 413.44 1 1 15 10.6 3.2 -3.19 0.00 180.00 6 3.16
211		1 1~~-15 40.02 80.03 0.7776 1.6538 413.44 1 1~~-15 10.6 3.2 -3.19 0.00 180.00 6 3.16
	203	1 1 -15 40.02 80.03 0.7776 1.6538 413.44 1 1 -15 10.6 3.2 -3.19 0.00 180.00 6 3.16
212	204	3 4 -4 40.34 80.68 0.7724 1.6761 419.02 3 4 -4 39.2 6.2 -6.17 0.00 180.00 6 3.13
213		1
214
215		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
216
217	205	4 3 4 40.34 80.68 0.7724 1.6761 419.02 4 3 4 39.2 6.2 -6.17 0.00 180.00 6 3.13
218	206	3 3 9 40.59 81.18 0.7684 1.6935 423.37 3 3 9 26.8 5.1 5.12 0.00 0.00 6 3.11
219	207	3 3 -9 40.59 81.18 0.7684 1.6935 423.37 3 3 -9 26.8 5.1 5.12 0.00 0.00 6 3.11
220		3 1~~-13 40.65 81.30 0.7675 1.6975 424.36 3 1~~-13 3.1 1.7 1.74 0.00 0.00 6 3.11
	208	3 1 -13 40.65 81.30 0.7675 1.6975 424.36 3 1 -13 3.1 1.7 1.74 0.00 0.00 6 3.11
221	209	1 3 13 40.65 81.30 0.7675 1.6975 424.36 1 3 13 3.1 1.7 1.74 0.00 0.00 6 3.11
222	210	2 5 3 40.88 81.76 0.7640 1.7133 428.33 2 5 3 2.9 1.7 -1.68 0.00 180.00 6 3.09
…	…
238	226	6 1 2 42.83 85.67 0.7354 1.8489 462.22 6 1 2 14.4 3.9 3.85 0.00 0.00 6 2.95
239	227	2 4 10 43.06 86.12 0.7323 1.8648 466.19 2 4 10 19.9 4.5 4.54 0.00 0.00 6 2.94
240		4 2~~-10 43.06 86.12 0.7323 1.8648 466.19 4 2~~-10 19.9 4.5 4.54 0.00 0.00 6 2.94
	228	4 2 -10 43.06 86.12 0.7323 1.8648 466.19 4 2 -10 19.9 4.5 4.54 0.00 0.00 6 2.94
241	229	1 4 12 43.09 86.18 0.7319 1.8667 466.69 1 4 12 1.8 1.4 -1.35 0.00 180.00 6 2.93
242		4 1~~-12 43.09 86.18 0.7319 1.8667 466.69 4 1~~-12 1.8 1.4 -1.35 0.00 180.00 6 2.93
	230	4 1 -12 43.09 86.18 0.7319 1.8667 466.69 4 1 -12 1.8 1.4 -1.35 0.00 180.00 6 2.93
243	231	4 1 12 43.09 86.18 0.7319 1.8667 466.69 4 1 12 9.2 3.1 -3.09 0.00 180.00 6 2.93
244		1 4~~-12 43.09 86.18 0.7319 1.8667 466.69 1 4~~-12 9.2 3.1 -3.09 0.00 180.00 6 2.93
	232	1 4 -12 43.09 86.18 0.7319 1.8667 466.69 1 4 -12 9.2 3.1 -3.09 0.00 180.00 6 2.93
245	233	5 0 11 43.28 86.56 0.7293 1.8801 470.04 5 0 11 0.0 0.1 -0.13 0.00 180.00 6 2.92
246		1 3~~-14 43.29 86.58 0.7292 1.8807 470.16 1 3~~-14 0.6 0.8 0.79 0.00 0.00 6 2.92
	234	1 3 -14 43.29 86.58 0.7292 1.8807 470.16 1 3 -14 0.6 0.8 0.79 0.00 0.00 6 2.92
247	235	3 1 14 43.29 86.58 0.7292 1.8807 470.16 3 1 14 0.6 0.8 0.79 0.00 0.00 6 2.92
248	236	2 5 -6 43.52 87.03 0.7261 1.8965 474.13 2 5 -6 1.8 1.4 1.37 0.00 0.00 6 2.91
…	…
257	245	1 6 4 44.00 88.00 0.7198 1.9303 482.57 1 6 4 0.8 0.9 0.90 0.00 0.00 6 2.88
258	246	6 1 -4 44.00 88.00 0.7198 1.9303 482.57 6 1 -4 0.8 0.9 0.90 0.00 0.00 6 2.88
259		2 3~~-13 44.31 88.61 0.7158 1.9516 487.91 2 3~~-13 18.9 4.5 -4.48 0.00 180.00 6 2.86
	247	2 3 -13 44.31 88.61 0.7158 1.9516 487.91 2 3 -13 18.9 4.5 -4.48 0.00 180.00 6 2.86
260	248	3 2 13 44.31 88.61 0.7158 1.9516 487.91 3 2 13 18.9 4.5 -4.48 0.00 180.00 6 2.86
261	249	6 1 5 44.88 89.75 0.7086 1.9913 497.84 6 1 5 11.1 3.4 3.45 0.00 0.00 6 2.83
262	250	1 6 -5 44.88 89.75 0.7086 1.9913 497.84 1 6 -5 11.1 3.4 3.45 0.00 0.00 6 2.83
263		1 5~~-10 44.88 89.77 0.7086 1.9919 497.96 1 5~~-10 20.1 4.6 4.65 0.00 0.00 6 2.83
	251	1 5 -10 44.88 89.77 0.7086 1.9919 497.96 1 5 -10 20.1 4.6 4.65 0.00 0.00 6 2.83
264	252	5 1 10 44.88 89.77 0.7086 1.9919 497.96 5 1 10 20.1 4.6 4.65 0.00 0.00 6 2.83
265	253	3 4 8 45.03 90.05 0.7068 2.0018 500.44 3 4 8 86.7 9.7 9.66 0.00 0.00 6 2.83
…	…
267	255	0 1 17 45.05 90.09 0.7065 2.0033 500.82 0 1 17 0.0 0.0 -0.04 0.00 180.00 6 2.83
268	256	4 2 11 45.10 90.21 0.7058 2.0072 501.81 4 2 11 4.7 2.2 2.24 0.00 0.00 6 2.82
269		2 4~~-11 45.10 90.21 0.7058 2.0072 501.81 2 4~~-11 4.7 2.2 2.24 0.00 0.00 6 2.82
	257	2 4 -11 45.10 90.21 0.7058 2.0072 501.81 2 4 -11 4.7 2.2 2.24 0.00 0.00 6 2.82
270	258	0 4 14 45.11 90.22 0.7057 2.0077 501.94 0 4 14 44.8 6.9 6.95 0.00 0.00 6 2.82
271	259	4 4 0 45.48 90.96 0.7013 2.0335 508.39 4 4 0 144.9 12.5 12.54 0.00 0.00 6 2.81
272	260	2 1 16 45.48 90.96 0.7012 2.0336 508.39 2 1 16 10.0 3.3 3.29 0.00 0.00 6 2.81
273		1 2-16 45.48 90.96 0.7012 2.0336 508.39 1 2-16 10.0 3.3 3.29 0.00 0.00 6 2.81
274		1
275
276		H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG
277
278		2 2-15 45.50 91.00 0.7010 2.0351 508.76 2 2-15 25.4 5.3 5.25 0.00 0.00 6 2.80
	261	1 2 -16 45.48 90.96 0.7012 2.0336 508.39 1 2 -16 10.0 3.3 3.29 0.00 0.00 6 2.81
	262	2 2 -15 45.50 91.00 0.7010 2.0351 508.76 2 2 -15 25.4 5.3 5.25 0.00 0.00 6 2.80
279	263	2 2 15 45.50 91.00 0.7010 2.0351 508.76 2 2 15 25.4 5.3 5.25 0.00 0.00 6 2.80
280	264	6 0 9 46.07 92.14 0.6942 2.0748 518.69 6 0 9 93.5 10.1 -10.12 0.00 180.00 6 2.78
…	…
288	272	0 7 2 46.48 92.95 0.6896 2.1031 525.76 0 7 2 24.7 5.2 -5.22 0.00 180.00 6 2.76
289	273	5 3 2 46.48 92.95 0.6896 2.1031 525.76 5 3 2 6.2 2.6 -2.61 0.00 180.00 6 2.76
290		3 3~~-12 46.73 93.47 0.6867 2.1209 530.23 3 3~~-12 38.0 6.5 -6.48 0.00 180.00 6 2.75
	274	3 3 -12 46.73 93.47 0.6867 2.1209 530.23 3 3 -12 38.0 6.5 -6.48 0.00 180.00 6 2.75
291	275	3 3 12 46.73 93.47 0.6867 2.1209 530.23 3 3 12 38.0 6.5 -6.48 0.00 180.00 6 2.75
292	276	2 0 17 46.87 93.74 0.6851 2.1304 532.60 2 0 17 5.5 2.5 -2.47 0.00 180.00 6 2.75
293	277	1 5 11 46.93 93.85 0.6845 2.1343 533.59 1 5 11 23.3 5.1 -5.09 0.00 180.00 6 2.74
294		5 1~~-11 46.93 93.85 0.6845 2.1343 533.59 5 1~~-11 23.3 5.1 -5.09 0.00 180.00 6 2.74
	278	5 1 -11 46.93 93.85 0.6845 2.1343 533.59 5 1 -11 23.3 5.1 -5.09 0.00 180.00 6 2.74
295	279	2 3 14 46.93 93.87 0.6844 2.1348 533.71 2 3 14 33.7 6.1 -6.12 0.00 180.00 6 2.74
296		3 2~~-14 46.93 93.87 0.6844 2.1348 533.71 3 2~~-14 33.7 6.1 -6.12 0.00 180.00 6 2.74
	280	3 2 -14 46.93 93.87 0.6844 2.1348 533.71 3 2 -14 33.7 6.1 -6.12 0.00 180.00 6 2.74
297	281	1 6 7 47.21 94.42 0.6813 2.1542 538.55 1 6 7 11.1 3.5 3.52 0.00 0.00 6 2.73
298	282	6 1 -7 47.21 94.42 0.6813 2.1542 538.55 6 1 -7 11.1 3.5 3.52 0.00 0.00 6 2.73
…	…
314	298	0 7 5 48.53 97.05 0.6673 2.2455 561.39 0 7 5 38.6 6.6 6.61 0.00 0.00 6 2.69
315	299	4 3 10 48.53 97.07 0.6673 2.2460 561.51 4 3 10 31.4 6.0 5.96 0.00 0.00 6 2.69
316		3 4~~-10 48.53 97.07 0.6673 2.2460 561.51 3 4~~-10 31.4 6.0 5.96 0.00 0.00 6 2.69
	300	3 4 -10 48.53 97.07 0.6673 2.2460 561.51 3 4 -10 31.4 6.0 5.96 0.00 0.00 6 2.69
317	301	6 1 8 48.68 97.35 0.6658 2.2560 563.99 6 1 8 0.5 0.8 0.77 0.00 0.00 6 2.69
318	302	1 6 -8 48.68 97.35 0.6658 2.2560 563.99 1 6 -8 0.5 0.8 0.77 0.00 0.00 6 2.69
319	303	1 2 17 48.70 97.40 0.6656 2.2575 564.37 1 2 17 42.0 6.9 -6.90 0.00 180.00 6 2.68
320		2 1~~-17 48.70 97.40 0.6656 2.2575 564.37 2 1~~-17 42.0 6.9 -6.90 0.00 180.00 6 2.68
	304	2 1 -17 48.70 97.40 0.6656 2.2575 564.37 2 1 -17 42.0 6.9 -6.90 0.00 180.00 6 2.68
321	305	4 4 6 48.99 97.98 0.6626 2.2778 569.45 4 4 6 39.7 6.7 -6.71 0.00 180.00 6 2.68
322	306	4 4 -6 48.99 97.98 0.6626 2.2778 569.45 4 4 -6 39.7 6.7 -6.71 0.00 180.00 6 2.68
323	307	1 3 16 49.14 98.27 0.6611 2.2878 571.94 1 3 16 8.5 3.1 -3.10 0.00 180.00 6 2.67
324		3 1~~-16 49.14 98.27 0.6611 2.2878 571.94 3 1~~-16 8.5 3.1 -3.10 0.00 180.00 6 2.67
	308	3 1 -16 49.14 98.27 0.6611 2.2878 571.94 3 1 -16 8.5 3.1 -3.10 0.00 180.00 6 2.67
325	309	6 2 4 49.48 98.96 0.6577 2.3116 577.89 6 2 4 1.5 1.3 -1.30 0.00 180.00 6 2.66
326	310	2 6 -4 49.48 98.96 0.6577 2.3116 577.89 2 6 -4 1.5 1.3 -1.30 0.00 180.00 6 2.66
327	311	1 1 18 49.68 99.37 0.6558 2.3255 581.38 1 1 18 17.4 4.5 4.46 0.00 0.00 6 2.66
328		1 1~~-18 49.68 99.37 0.6558 2.3255 581.38 1 1~~-18 17.4 4.5 4.46 0.00 0.00 6 2.66
	312	1 1 -18 49.68 99.37 0.6558 2.3255 581.38 1 1 -18 17.4 4.5 4.46 0.00 0.00 6 2.66
329	313	2 4 13 49.79 99.58 0.6547 2.3329 583.23 2 4 13 11.4 3.6 3.61 0.00 0.00 6 2.66
330		4 2~~-13 49.79 99.58 0.6547 2.3329 583.23 4 2~~-13 11.4 3.6 3.61 0.00 0.00 6 2.66
	314	4 2 -13 49.79 99.58 0.6547 2.3329 583.23 4 2 -13 11.4 3.6 3.61 0.00 0.00 6 2.66
331	315	6 2 -5 50.37 100.74 0.6492 2.3726 593.16 6 2 -5 4.5 2.3 -2.27 0.00 180.00 6 2.64
332	316	2 6 5 50.37 100.74 0.6492 2.3726 593.16 2 6 5 4.5 2.3 -2.27 0.00 180.00 6 2.64
333		4 3~~-11 50.60 101.20 0.6470 2.3885 597.13 4 3~~-11 1.2 1.2 -1.17 0.00 180.00 6 2.64
	317	4 3 -11 50.60 101.20 0.6470 2.3885 597.13 4 3 -11 1.2 1.2 -1.17 0.00 180.00 6 2.64
334	318	3 4 11 50.60 101.20 0.6470 2.3885 597.13 3 4 11 1.2 1.2 -1.17 0.00 180.00 6 2.64
335		1
336
337		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
338
339	319	5 0 14 50.61 101.22 0.6470 2.3890 597.26 5 0 14 2.2 1.6 -1.59 0.00 180.00 6 2.64
340	320	3 5 7 50.89 101.78 0.6444 2.4084 602.10 3 5 7 3.7 2.1 -2.06 0.00 180.00 6 2.63
…	…
345	325	4 0 16 50.99 101.97 0.6435 2.4149 603.72 4 0 16 53.9 7.9 7.90 0.00 0.00 6 2.63
346	326	4 1 15 51.01 102.02 0.6433 2.4163 604.09 4 1 15 2.0 1.5 -1.52 0.00 180.00 6 2.63
347		4 1~~-15 51.01 102.02 0.6433 2.4163 604.09 4 1~~-15 9.6 3.3 -3.34 0.00 180.00 6 2.63
	327	4 1 -15 51.01 102.02 0.6433 2.4163 604.09 4 1 -15 9.6 3.3 -3.34 0.00 180.00 6 2.63
348	328	1 4 15 51.01 102.02 0.6433 2.4163 604.09 1 4 15 9.6 3.3 -3.34 0.00 180.00 6 2.63
349		1 4~~-15 51.01 102.02 0.6433 2.4163 604.09 1 4~~-15 2.0 1.5 -1.52 0.00 180.00 6 2.63
350		1 5~~-13 51.65 103.30 0.6376 2.4600 615.01 1 5~~-13 0.2 0.5 0.52 0.00 0.00 6 2.62
	329	1 4 -15 51.01 102.02 0.6433 2.4163 604.09 1 4 -15 2.0 1.5 -1.52 0.00 180.00 6 2.63
	330	1 5 -13 51.65 103.30 0.6376 2.4600 615.01 1 5 -13 0.2 0.5 0.52 0.00 0.00 6 2.62
351	331	5 1 13 51.65 103.30 0.6376 2.4600 615.01 5 1 13 0.2 0.5 0.52 0.00 0.00 6 2.62
352	332	1 7 3 51.88 103.77 0.6355 2.4759 618.98 1 7 3 0.3 0.6 -0.57 0.00 180.00 6 2.62
…	…
356	336	1 0 19 52.12 104.24 0.6335 2.4918 622.96 1 0 19 2.3 1.6 1.64 0.00 0.00 6 2.61
357	337	1 6 10 52.24 104.48 0.6324 2.5002 625.06 1 6 10 2.6 1.7 -1.73 0.00 180.00 6 2.61
358		6 1~~-10 52.24 104.48 0.6324 2.5002 625.06 6 1~~-10 2.6 1.7 -1.73 0.00 180.00 6 2.61
	338	6 1 -10 52.24 104.48 0.6324 2.5002 625.06 6 1 -10 2.6 1.7 -1.73 0.00 180.00 6 2.61
359	339	6 0 12 52.27 104.54 0.6322 2.5022 625.56 6 0 12 90.9 10.3 10.29 0.00 0.00 6 2.61
360	340	0 6 12 52.27 104.54 0.6322 2.5022 625.56 0 6 12 3.1 1.9 1.90 0.00 0.00 6 2.61
…	…
362	342	5 3 8 52.39 104.78 0.6312 2.5102 627.54 5 3 8 32.6 6.2 6.17 0.00 0.00 6 2.61
363	343	3 5 -8 52.39 104.78 0.6312 2.5102 627.54 3 5 -8 32.6 6.2 6.17 0.00 0.00 6 2.61
364		1 3~~-17 52.41 104.82 0.6310 2.5117 627.92 1 3~~-17 6.9 2.8 -2.83 0.00 180.00 6 2.61
	344	1 3 -17 52.41 104.82 0.6310 2.5117 627.92 1 3 -17 6.9 2.8 -2.83 0.00 180.00 6 2.61
365	345	3 1 17 52.41 104.82 0.6310 2.5117 627.92 3 1 17 6.9 2.8 -2.83 0.00 180.00 6 2.61
366		2 4~~-14 52.48 104.96 0.6304 2.5161 629.03 2 4~~-14 4.4 2.3 2.27 0.00 0.00 6 2.61
	346	2 4 -14 52.48 104.96 0.6304 2.5161 629.03 2 4 -14 4.4 2.3 2.27 0.00 0.00 6 2.61
367	347	4 2 14 52.48 104.96 0.6304 2.5161 629.03 4 2 14 4.4 2.3 2.27 0.00 0.00 6 2.61
368	348	2 6 -7 52.76 105.53 0.6280 2.5355 633.87 2 6 -7 43.6 7.1 -7.13 0.00 180.00 6 2.61
369	349	6 2 7 52.76 105.53 0.6280 2.5355 633.87 6 2 7 43.6 7.1 -7.13 0.00 180.00 6 2.61
370		2 3~~-16 52.86 105.72 0.6272 2.5420 635.49 2 3~~-16 8.0 3.1 3.05 0.00 0.00 6 2.61
	350	2 3 -16 52.86 105.72 0.6272 2.5420 635.49 2 3 -16 8.0 3.1 3.05 0.00 0.00 6 2.61
371	351	3 2 16 52.86 105.72 0.6272 2.5420 635.49 3 2 16 8.0 3.1 3.05 0.00 0.00 6 2.61
372	352	3 0 18 53.42 106.85 0.6226 2.5797 644.92 3 0 18 0.1 0.4 -0.35 0.00 180.00 6 2.60
…	…
379	359	5 4 -2 53.90 107.80 0.6188 2.6114 652.86 5 4 -2 4.3 2.2 2.25 0.00 0.00 6 2.60
380	360	0 2 19 54.01 108.03 0.6179 2.6189 654.73 0 2 19 19.7 4.8 -4.80 0.00 180.00 6 2.60
381		2 5~~-12 54.17 108.34 0.6167 2.6293 657.33 2 5~~-12 3.1 1.9 -1.90 0.00 180.00 6 2.60
382		5 2~~-12 54.17 108.34 0.6167 2.6293 657.33 5 2~~-12 8.2 3.1 -3.10 0.00 180.00 6 2.60
	361	2 5 -12 54.17 108.34 0.6167 2.6293 657.33 2 5 -12 3.1 1.9 -1.90 0.00 180.00 6 2.60
	362	5 2 -12 54.17 108.34 0.6167 2.6293 657.33 5 2 -12 8.2 3.1 -3.10 0.00 180.00 6 2.60
383	363	5 2 12 54.17 108.34 0.6167 2.6293 657.33 5 2 12 3.1 1.9 -1.90 0.00 180.00 6 2.60
384	364	2 5 12 54.17 108.34 0.6167 2.6293 657.33 2 5 12 8.2 3.1 -3.10 0.00 180.00 6 2.60
…	…
387	367	0 4 17 54.31 108.63 0.6156 2.6388 659.69 0 4 17 39.1 6.8 -6.76 0.00 180.00 6 2.60
388	368	6 1 11 54.37 108.75 0.6151 2.6427 660.68 6 1 11 2.9 1.8 1.83 0.00 0.00 6 2.60
389		1 6~~-11 54.37 108.75 0.6151 2.6427 660.68 1 6~~-11 2.9 1.8 1.83 0.00 0.00 6 2.60
390		5 1~~-14 54.38 108.76 0.6151 2.6432 660.81 5 1~~-14 0.1 0.4 -0.39 0.00 180.00 6 2.60
	369	1 6 -11 54.37 108.75 0.6151 2.6427 660.68 1 6 -11 2.9 1.8 1.83 0.00 0.00 6 2.60
	370	5 1 -14 54.38 108.76 0.6151 2.6432 660.81 5 1 -14 0.1 0.4 -0.39 0.00 180.00 6 2.60
391	371	1 5 14 54.38 108.76 0.6151 2.6432 660.81 1 5 14 0.1 0.4 -0.39 0.00 180.00 6 2.60
392	372	1 7 -6 54.62 109.24 0.6132 2.6591 664.78 1 7 -6 2.6 1.7 1.74 0.00 0.00 6 2.60
…	…
394	374	7 1 6 54.62 109.24 0.6132 2.6591 664.78 7 1 6 2.6 1.7 1.74 0.00 0.00 6 2.60
395	375	7 1 -6 54.62 109.24 0.6132 2.6591 664.78 7 1 -6 11.0 3.6 3.59 0.00 0.00 6 2.60
396		1
397
398		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
399
400	376	3 6 0 54.77 109.54 0.6121 2.6690 667.26 3 6 0 2.9 1.8 -1.84 0.00 180.00 6 2.60
401	377	6 3 0 54.77 109.54 0.6121 2.6690 667.26 6 3 0 2.9 1.8 -1.84 0.00 180.00 6 2.60
402		3 3~~-15 54.79 109.59 0.6119 2.6705 667.64 3 3~~-15 16.4 4.4 -4.38 0.00 180.00 6 2.60
	378	3 3 -15 54.79 109.59 0.6119 2.6705 667.64 3 3 -15 16.4 4.4 -4.38 0.00 180.00 6 2.60
403	379	3 3 15 54.79 109.59 0.6119 2.6705 667.64 3 3 15 16.4 4.4 -4.38 0.00 180.00 6 2.60
404	380	5 4 4 55.13 110.27 0.6094 2.6929 673.22 5 4 4 0.4 0.7 0.66 0.00 0.00 6 2.60
405	381	4 5 -4 55.13 110.27 0.6094 2.6929 673.22 4 5 -4 0.4 0.7 0.66 0.00 0.00 6 2.60
406	382	2 2 18 55.35 110.70 0.6078 2.7068 676.70 2 2 18 0.1 0.4 -0.36 0.00 180.00 6 2.60
407		2 2~~-18 55.35 110.70 0.6078 2.7068 676.70 2 2~~-18 0.1 0.4 -0.36 0.00 180.00 6 2.60
	383	2 2 -18 55.35 110.70 0.6078 2.7068 676.70 2 2 -18 0.1 0.4 -0.36 0.00 180.00 6 2.60
408	384	4 3 13 55.46 110.92 0.6070 2.7142 678.56 4 3 13 24.8 5.4 -5.39 0.00 180.00 6 2.60
409		3 4~~-13 55.46 110.92 0.6070 2.7142 678.56 3 4~~-13 24.8 5.4 -5.39 0.00 180.00 6 2.60
	385	3 4 -13 55.46 110.92 0.6070 2.7142 678.56 3 4 -13 24.8 5.4 -5.39 0.00 180.00 6 2.60
410	386	0 8 1 55.52 111.04 0.6065 2.7182 679.55 0 8 1 9.1 3.3 3.26 0.00 0.00 6 2.60
411	387	3 6 3 55.71 111.41 0.6052 2.7301 682.52 3 6 3 24.9 5.4 5.40 0.00 0.00 6 2.60
…	…
415	391	8 0 2 55.84 111.67 0.6043 2.7385 684.63 8 0 2 36.4 6.5 6.53 0.00 0.00 6 2.60
416	392	2 1 19 55.95 111.90 0.6035 2.7460 686.50 2 1 19 10.9 3.6 -3.56 0.00 180.00 6 2.60
417		1 2~~-19 55.95 111.90 0.6035 2.7460 686.50 1 2~~-19 10.9 3.6 -3.56 0.00 180.00 6 2.60
	393	1 2 -19 55.95 111.90 0.6035 2.7460 686.50 1 2 -19 10.9 3.6 -3.56 0.00 180.00 6 2.60
418	394	5 4 -5 56.07 112.15 0.6026 2.7539 688.48 5 4 -5 7.1 2.9 2.88 0.00 0.00 6 2.60
419	395	4 5 5 56.07 112.15 0.6026 2.7539 688.48 4 5 5 7.1 2.9 2.88 0.00 0.00 6 2.60
420	396	7 0 10 56.08 112.16 0.6025 2.7544 688.61 7 0 10 13.4 4.0 3.96 0.00 0.00 6 2.60
421		5 3~~-10 56.08 112.16 0.6025 2.7544 688.61 5 3~~-10 14.3 4.1 4.09 0.00 0.00 6 2.60
	397	5 3 -10 56.08 112.16 0.6025 2.7544 688.61 5 3 -10 14.3 4.1 4.09 0.00 0.00 6 2.60
422	398	3 5 10 56.08 112.16 0.6025 2.7544 688.61 3 5 10 14.3 4.1 4.09 0.00 0.00 6 2.60
423	399	0 1 20 56.11 112.22 0.6023 2.7564 689.11 0 1 20 6.0 2.6 2.64 0.00 0.00 6 2.60
424	400	2 3 17 56.26 112.52 0.6013 2.7659 691.47 2 3 17 1.0 1.1 -1.06 0.00 180.00 6 2.60
425		3 2~~-17 56.26 112.52 0.6013 2.7659 691.47 3 2~~-17 1.0 1.1 -1.06 0.00 180.00 6 2.60
	401	3 2 -17 56.26 112.52 0.6013 2.7659 691.47 3 2 -17 1.0 1.1 -1.06 0.00 180.00 6 2.60
426	402	0 5 16 56.73 113.46 0.5980 2.7962 699.04 0 5 16 2.7 1.8 1.79 0.00 0.00 6 2.61
427	403	0 8 4 57.10 114.20 0.5955 2.8200 704.99 0 8 4 17.1 4.5 -4.47 0.00 180.00 6 2.61
…	…
431	407	7 2 2 57.82 115.65 0.5907 2.8656 716.41 7 2 2 9.5 3.3 -3.33 0.00 180.00 6 2.62
432	408	8 0 5 58.07 116.14 0.5892 2.8810 720.26 8 0 5 22.8 5.1 -5.14 0.00 180.00 6 2.63
433		2 6~~-10 58.08 116.15 0.5891 2.8815 720.38 2 6~~-10 0.5 0.8 -0.79 0.00 180.00 6 2.63
	409	2 6 -10 58.08 116.15 0.5891 2.8815 720.38 2 6 -10 0.5 0.8 -0.79 0.00 180.00 6 2.63
434	410	6 2 10 58.08 116.15 0.5891 2.8815 720.38 6 2 10 0.5 0.8 -0.79 0.00 180.00 6 2.63
435	411	2 0 20 58.11 116.22 0.5889 2.8835 720.89 2 0 20 57.3 8.1 -8.15 0.00 180.00 6 2.63
436	412	0 7 11 58.32 116.64 0.5875 2.8969 724.23 0 7 11 27.3 5.6 -5.62 0.00 180.00 6 2.63
437	413	5 3 11 58.32 116.64 0.5875 2.8969 724.23 5 3 11 11.6 3.7 -3.67 0.00 180.00 6 2.63
438		3 5~~-11 58.32 116.64 0.5875 2.8969 724.23 3 5~~-11 11.6 3.7 -3.67 0.00 180.00 6 2.63
439		4 3~~-14 58.33 116.66 0.5875 2.8974 724.36 4 3~~-14 34.1 6.3 -6.28 0.00 180.00 6 2.63
	414	3 5 -11 58.32 116.64 0.5875 2.8969 724.23 3 5 -11 11.6 3.7 -3.67 0.00 180.00 6 2.63
	415	4 3 -14 58.33 116.66 0.5875 2.8974 724.36 4 3 -14 34.1 6.3 -6.28 0.00 180.00 6 2.63
440	416	3 4 14 58.33 116.66 0.5875 2.8974 724.36 3 4 14 34.1 6.3 -6.28 0.00 180.00 6 2.63
441	417	3 6 6 58.59 117.17 0.5859 2.9133 728.32 3 6 6 0.9 1.0 -1.00 0.00 180.00 6 2.63
…	…
445	421	5 4 7 58.64 117.28 0.5855 2.9168 729.19 5 4 7 3.8 2.1 2.10 0.00 0.00 6 2.64
446	422	4 5 -7 58.64 117.28 0.5855 2.9168 729.19 4 5 -7 3.8 2.1 2.10 0.00 0.00 6 2.64
447		4 2~~-16 58.75 117.49 0.5849 2.9232 730.81 4 2~~-16 33.7 6.2 6.24 0.00 0.00 6 2.64
	423	4 2 -16 58.75 117.49 0.5849 2.9232 730.81 4 2 -16 33.7 6.2 6.24 0.00 0.00 6 2.64
448	424	2 4 16 58.75 117.49 0.5849 2.9232 730.81 2 4 16 33.7 6.2 6.24 0.00 0.00 6 2.64
449	425	2 7 4 59.13 118.26 0.5825 2.9471 736.76 2 7 4 3.6 2.0 2.03 0.00 0.00 6 2.65
…	…
454	430	7 1 -9 59.42 118.83 0.5808 2.9644 741.11 7 1 -9 7.4 2.9 -2.91 0.00 180.00 6 2.65
455	431	1 6 13 59.48 118.96 0.5804 2.9684 742.10 1 6 13 0.3 0.6 0.60 0.00 0.00 6 2.65
456		6 1-13 59.48 118.96 0.5804 2.9684 742.10 6 1-13 0.3 0.6 0.60 0.00 0.00 6 2.65
457		1
458
459		H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG
460
	432	6 1 -13 59.48 118.96 0.5804 2.9684 742.10 6 1 -13 0.3 0.6 0.60 0.00 0.00 6 2.65
461	433	0 0 21 59.87 119.74 0.5781 2.9923 748.07 0 0 21 22.4 8.8 -8.76 0.00 180.00 2 2.66
462		3 1~~-19 60.00 120.01 0.5773 3.0002 750.05 3 1~~-19 2.1 1.6 1.56 0.00 0.00 6 2.67
	434	3 1 -19 60.00 120.01 0.5773 3.0002 750.05 3 1 -19 2.1 1.6 1.56 0.00 0.00 6 2.67
463	435	1 3 19 60.00 120.01 0.5773 3.0002 750.05 1 3 19 2.1 1.6 1.56 0.00 0.00 6 2.67
464	436	7 2 5 60.13 120.27 0.5766 3.0081 752.03 7 2 5 18.5 4.6 4.60 0.00 0.00 6 2.67
465	437	2 7 -5 60.13 120.27 0.5766 3.0081 752.03 2 7 -5 18.5 4.6 4.60 0.00 0.00 6 2.67
466	438	4 4 12 60.18 120.35 0.5763 3.0106 752.65 4 4 12 7.1 2.8 2.84 0.00 0.00 6 2.67
467		4 4~~-12 60.18 120.35 0.5763 3.0106 752.65 4 4~~-12 7.1 2.8 2.84 0.00 0.00 6 2.67
	439	4 4 -12 60.18 120.35 0.5763 3.0106 752.65 4 4 -12 7.1 2.8 2.84 0.00 0.00 6 2.67
468	440	1 2 20 60.18 120.35 0.5763 3.0106 752.66 1 2 20 19.4 4.7 4.70 0.00 0.00 6 2.67
469		2 1~~-20 60.18 120.35 0.5763 3.0106 752.66 2 1~~-20 19.4 4.7 4.70 0.00 0.00 6 2.67
	441	2 1 -20 60.18 120.35 0.5763 3.0106 752.66 2 1 -20 19.4 4.7 4.70 0.00 0.00 6 2.67
470	442	5 4 -8 60.31 120.62 0.5756 3.0186 754.64 5 4 -8 1.9 1.5 1.46 0.00 0.00 6 2.68
471	443	4 5 8 60.31 120.62 0.5756 3.0186 754.64 4 5 8 1.9 1.5 1.46 0.00 0.00 6 2.68
472	444	5 0 17 60.33 120.67 0.5754 3.0201 755.02 5 0 17 23.4 5.2 -5.16 0.00 180.00 6 2.68
473		6 2~~-11 60.40 120.80 0.5751 3.0240 756.00 6 2~~-11 5.4 2.5 2.48 0.00 0.00 6 2.68
	445	6 2 -11 60.40 120.80 0.5751 3.0240 756.00 6 2 -11 5.4 2.5 2.48 0.00 0.00 6 2.68
474	446	2 6 11 60.40 120.80 0.5751 3.0240 756.00 2 6 11 5.4 2.5 2.48 0.00 0.00 6 2.68
475	447	0 8 7 60.73 121.46 0.5732 3.0439 760.97 0 8 7 26.8 5.5 -5.50 0.00 180.00 6 2.69
476	448	5 1 16 60.84 121.68 0.5726 3.0503 762.59 5 1 16 2.4 1.7 -1.66 0.00 180.00 6 2.69
477		1 5~~-16 60.84 121.68 0.5726 3.0503 762.59 1 5~~-16 2.4 1.7 -1.66 0.00 180.00 6 2.69
	449	1 5 -16 60.84 121.68 0.5726 3.0503 762.59 1 5 -16 2.4 1.7 -1.66 0.00 180.00 6 2.69
478	450	6 0 15 60.86 121.73 0.5724 3.0518 762.96 6 0 15 0.2 0.4 0.42 0.00 0.00 6 2.69
479	451	0 6 15 60.86 121.73 0.5724 3.0518 762.96 0 6 15 74.3 9.2 9.17 0.00 0.00 6 2.69
480		1 4~~-18 61.48 122.96 0.5691 3.0881 772.02 1 4~~-18 8.0 3.0 3.00 0.00 0.00 6 2.71
	452	1 4 -18 61.48 122.96 0.5691 3.0881 772.02 1 4 -18 8.0 3.0 3.00 0.00 0.00 6 2.71
481	453	4 1 18 61.48 122.96 0.5691 3.0881 772.02 4 1 18 8.0 3.0 3.00 0.00 0.00 6 2.71
482		4 1~~-18 61.48 122.96 0.5691 3.0881 772.02 4 1~~-18 10.0 3.3 3.34 0.00 0.00 6 2.71
	454	4 1 -18 61.48 122.96 0.5691 3.0881 772.02 4 1 -18 10.0 3.3 3.34 0.00 0.00 6 2.71
483	455	1 4 18 61.48 122.96 0.5691 3.0881 772.02 1 4 18 10.0 3.3 3.34 0.00 0.00 6 2.71
484	456	8 1 1 61.67 123.35 0.5680 3.0995 774.87 8 1 1 6.3 2.6 -2.65 0.00 180.00 6 2.72
485	457	1 8 -1 61.67 123.35 0.5680 3.0995 774.87 1 8 -1 6.3 2.6 -2.65 0.00 180.00 6 2.72
486	458	1 1 21 62.02 124.03 0.5662 3.1194 779.84 1 1 21 4.4 2.2 2.21 0.00 0.00 6 2.73
487		1 1~~-21 62.02 124.03 0.5662 3.1194 779.84 1 1~~-21 4.4 2.2 2.21 0.00 0.00 6 2.73
	459	1 1 -21 62.02 124.03 0.5662 3.1194 779.84 1 1 -21 4.4 2.2 2.21 0.00 0.00 6 2.73
488	460	8 1 -2 62.02 124.05 0.5662 3.1198 779.96 8 1 -2 0.8 0.9 0.93 0.00 0.00 6 2.73
489	461	1 8 2 62.02 124.05 0.5662 3.1198 779.96 1 8 2 0.8 0.9 0.93 0.00 0.00 6 2.73
…	…
491	463	8 0 8 62.47 124.95 0.5638 3.1456 786.41 8 0 8 2.4 1.6 -1.64 0.00 180.00 6 2.75
492	464	4 2 17 62.50 125.00 0.5637 3.1472 786.79 4 2 17 0.0 0.1 0.06 0.00 0.00 6 2.75
493		2 4~~-17 62.50 125.00 0.5637 3.1472 786.79 2 4~~-17 0.0 0.1 0.06 0.00 0.00 6 2.75
	465	2 4 -17 62.50 125.00 0.5637 3.1472 786.79 2 4 -17 0.0 0.1 0.06 0.00 0.00 6 2.75
494	466	6 1 14 62.58 125.16 0.5633 3.1516 787.90 6 1 14 3.7 2.0 -2.02 0.00 180.00 6 2.76
495		1 6~~-14 62.58 125.16 0.5633 3.1516 787.90 1 6~~-14 3.7 2.0 -2.02 0.00 180.00 6 2.76
	467	1 6 -14 62.58 125.16 0.5633 3.1516 787.90 1 6 -14 3.7 2.0 -2.02 0.00 180.00 6 2.76
496	468	2 7 7 62.92 125.84 0.5616 3.1710 792.74 2 7 7 7.8 2.9 -2.92 0.00 180.00 6 2.77
497	469	7 2 -7 62.92 125.84 0.5616 3.1710 792.74 7 2 -7 7.8 2.9 -2.92 0.00 180.00 6 2.77
…	…
499	471	2 5 15 63.06 126.12 0.5609 3.1789 794.73 2 5 15 2.6 1.7 -1.70 0.00 180.00 6 2.78
500	472	5 2 15 63.06 126.12 0.5609 3.1789 794.73 5 2 15 7.9 3.0 -2.95 0.00 180.00 6 2.78
501		2 5~~-15 63.06 126.12 0.5609 3.1789 794.73 2 5~~-15 7.9 3.0 -2.95 0.00 180.00 6 2.78
502		5 2~~-15 63.06 126.12 0.5609 3.1789 794.73 5 2~~-15 2.6 1.7 -1.70 0.00 180.00 6 2.78
	473	2 5 -15 63.06 126.12 0.5609 3.1789 794.73 2 5 -15 7.9 3.0 -2.95 0.00 180.00 6 2.78
	474	5 2 -15 63.06 126.12 0.5609 3.1789 794.73 5 2 -15 2.6 1.7 -1.70 0.00 180.00 6 2.78
503	475	8 1 4 63.46 126.91 0.5589 3.2012 800.31 8 1 4 6.1 2.6 -2.57 0.00 180.00 6 2.80
504	476	1 8 -4 63.46 126.91 0.5589 3.2012 800.31 1 8 -4 6.1 2.6 -2.57 0.00 180.00 6 2.80
…	…
509	481	3 5 13 63.84 127.68 0.5571 3.2226 805.65 3 5 13 0.2 0.5 -0.46 0.00 180.00 6 2.82
510	482	7 0 13 63.84 127.68 0.5571 3.2226 805.65 7 0 13 3.1 1.8 1.83 0.00 0.00 6 2.82
511		5 3~~-13 63.84 127.68 0.5571 3.2226 805.65 5 3~~-13 0.2 0.5 -0.46 0.00 180.00 6 2.82
	483	5 3 -13 63.84 127.68 0.5571 3.2226 805.65 5 3 -13 0.2 0.5 -0.46 0.00 180.00 6 2.82
512	484	6 4 -1 63.91 127.83 0.5567 3.2266 806.64 6 4 -1 10.9 3.4 3.42 0.00 0.00 6 2.82
513	485	4 6 1 63.91 127.83 0.5567 3.2266 806.64 4 6 1 10.9 3.4 3.42 0.00 0.00 6 2.82
…	…
516	488	4 6 -2 64.28 128.57 0.5550 3.2469 811.73 4 6 -2 0.2 0.5 0.50 0.00 0.00 6 2.84
517	489	6 4 2 64.28 128.57 0.5550 3.2469 811.73 6 4 2 0.2 0.5 0.50 0.00 0.00 6 2.84
518		1
519
520		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
521
522	490	3 2 19 64.42 128.84 0.5543 3.2544 813.60 3 2 19 0.3 0.6 0.58 0.00 0.00 6 2.85
523		2 3~~-19 64.42 128.84 0.5543 3.2544 813.60 2 3~~-19 0.3 0.6 0.58 0.00 0.00 6 2.85
	491	2 3 -19 64.42 128.84 0.5543 3.2544 813.60 2 3 -19 0.3 0.6 0.58 0.00 0.00 6 2.85
524	492	1 8 5 64.57 129.14 0.5537 3.2623 815.58 1 8 5 0.1 0.3 -0.30 0.00 180.00 6 2.86
525	493	8 1 -5 64.57 129.14 0.5537 3.2623 815.58 8 1 -5 0.1 0.3 -0.30 0.00 180.00 6 2.86
526	494	5 4 10 64.58 129.15 0.5536 3.2628 815.70 5 4 10 0.3 0.6 -0.57 0.00 180.00 6 2.86
527		4 5~~-10 64.58 129.15 0.5536 3.2628 815.70 4 5~~-10 0.3 0.6 -0.57 0.00 180.00 6 2.86
528		1 3~~-20 64.61 129.23 0.5534 3.2648 816.21 1 3~~-20 0.9 1.0 -0.99 0.00 180.00 6 2.86
	495	4 5 -10 64.58 129.15 0.5536 3.2628 815.70 4 5 -10 0.3 0.6 -0.57 0.00 180.00 6 2.86
	496	1 3 -20 64.61 129.23 0.5534 3.2648 816.21 1 3 -20 0.9 1.0 -0.99 0.00 180.00 6 2.86
529	497	3 1 20 64.61 129.23 0.5534 3.2648 816.21 3 1 20 0.9 1.0 -0.99 0.00 180.00 6 2.86
530	498	7 2 8 64.76 129.52 0.5528 3.2727 818.19 7 2 8 18.0 4.4 4.38 0.00 0.00 6 2.87
531	499	2 7 -8 64.76 129.52 0.5528 3.2727 818.19 2 7 -8 18.0 4.4 4.38 0.00 0.00 6 2.87
532		5 1~~-17 64.79 129.58 0.5526 3.2743 818.56 5 1~~-17 4.2 2.1 -2.11 0.00 180.00 6 2.87
	500	5 1 -17 64.79 129.58 0.5526 3.2743 818.56 5 1 -17 4.2 2.1 -2.11 0.00 180.00 6 2.87
533	501	1 5 17 64.79 129.58 0.5526 3.2743 818.56 1 5 17 4.2 2.1 -2.11 0.00 180.00 6 2.87
534	502	4 3 16 65.36 130.71 0.5501 3.3045 826.13 4 3 16 6.4 2.6 2.59 0.00 0.00 6 2.90
535		3 4~~-16 65.36 130.71 0.5501 3.3045 826.13 3 4~~-16 6.4 2.6 2.59 0.00 0.00 6 2.90
	503	3 4 -16 65.36 130.71 0.5501 3.3045 826.13 3 4 -16 6.4 2.6 2.59 0.00 0.00 6 2.90
536	504	1 0 22 65.77 131.54 0.5483 3.3264 831.60 1 0 22 7.0 2.7 -2.69 0.00 180.00 6 2.93
537	505	4 6 4 65.81 131.62 0.5481 3.3283 832.09 4 6 4 0.4 0.6 0.63 0.00 0.00 6 2.93
538	506	6 4 -4 65.81 131.62 0.5481 3.3283 832.09 6 4 -4 0.4 0.6 0.63 0.00 0.00 6 2.93
539		3 3~~-18 66.08 132.15 0.5470 3.3423 835.57 3 3~~-18 63.6 8.1 8.10 0.00 0.00 6 2.95
	507	3 3 -18 66.08 132.15 0.5470 3.3423 835.57 3 3 -18 63.6 8.1 8.10 0.00 0.00 6 2.95
540	508	3 3 18 66.08 132.15 0.5470 3.3423 835.57 3 3 18 63.6 8.1 8.10 0.00 0.00 6 2.95
541	509	6 2 13 66.22 132.44 0.5464 3.3497 837.43 6 2 13 50.4 7.2 7.19 0.00 0.00 6 2.96
542		2 6~~-13 66.22 132.44 0.5464 3.3497 837.43 2 6~~-13 50.4 7.2 7.19 0.00 0.00 6 2.96
	510	2 6 -13 66.22 132.44 0.5464 3.3497 837.43 2 6 -13 50.4 7.2 7.19 0.00 0.00 6 2.96
543	511	7 3 1 66.30 132.60 0.5461 3.3537 838.42 7 3 1 58.5 7.7 -7.75 0.00 180.00 6 2.97
544	512	3 7 -1 66.30 132.60 0.5461 3.3537 838.42 3 7 -1 58.5 7.7 -7.75 0.00 180.00 6 2.97
…	…
551	519	0 8 10 67.01 134.02 0.5431 3.3899 847.48 0 8 10 2.0 1.4 1.43 0.00 0.00 6 3.02
552	520	7 1 12 67.05 134.10 0.5430 3.3919 847.98 7 1 12 0.2 0.4 -0.39 0.00 180.00 6 3.02
553		7 1~~-12 67.05 134.10 0.5430 3.3919 847.98 7 1~~-12 3.0 1.7 -1.74 0.00 180.00 6 3.02
554		1 7~~-12 67.05 134.10 0.5430 3.3919 847.98 1 7~~-12 0.2 0.4 -0.39 0.00 180.00 6 3.02
	521	7 1 -12 67.05 134.10 0.5430 3.3919 847.98 7 1 -12 3.0 1.7 -1.74 0.00 180.00 6 3.02
	522	1 7 -12 67.05 134.10 0.5430 3.3919 847.98 1 7 -12 0.2 0.4 -0.39 0.00 180.00 6 3.02
555	523	1 7 12 67.05 134.10 0.5430 3.3919 847.98 1 7 12 3.0 1.7 -1.74 0.00 180.00 6 3.02
556	524	0 4 20 67.05 134.10 0.5430 3.3919 847.98 0 4 20 2.5 1.6 -1.60 0.00 180.00 6 3.02
557		5 4~~-11 67.32 134.64 0.5419 3.4053 851.33 5 4~~-11 0.5 0.7 0.70 0.00 0.00 6 3.05
	525	5 4 -11 67.32 134.64 0.5419 3.4053 851.33 5 4 -11 0.5 0.7 0.70 0.00 0.00 6 3.05
558	526	4 5 11 67.32 134.64 0.5419 3.4053 851.33 4 5 11 0.5 0.7 0.70 0.00 0.00 6 3.05
559	527	0 7 14 67.33 134.66 0.5419 3.4058 851.45 0 7 14 1.6 1.2 1.25 0.00 0.00 6 3.05
560	528	5 3 14 67.33 134.66 0.5419 3.4058 851.45 5 3 14 1.5 1.2 -1.21 0.00 180.00 6 3.05
561		3 5~~-14 67.33 134.66 0.5419 3.4058 851.45 3 5~~-14 1.5 1.2 -1.21 0.00 180.00 6 3.05
	529	3 5 -14 67.33 134.66 0.5419 3.4058 851.45 3 5 -14 1.5 1.2 -1.21 0.00 180.00 6 3.05
562	530	5 5 6 67.65 135.30 0.5406 3.4217 855.42 5 5 6 5.4 2.3 2.31 0.00 0.00 6 3.07
563	531	5 5 -6 67.65 135.30 0.5406 3.4217 855.42 5 5 -6 5.4 2.3 2.31 0.00 0.00 6 3.07
…	…
571	539	0 9 3 69.14 138.27 0.5351 3.4927 873.17 0 9 3 7.5 2.7 -2.66 0.00 180.00 6 3.22
572	540	2 2 21 69.31 138.62 0.5345 3.5007 875.16 2 2 21 15.9 3.9 -3.87 0.00 180.00 6 3.23
573		2 2~~-21 69.31 138.62 0.5345 3.5007 875.16 2 2~~-21 15.9 3.9 -3.87 0.00 180.00 6 3.23
	541	2 2 -21 69.31 138.62 0.5345 3.5007 875.16 2 2 -21 15.9 3.9 -3.87 0.00 180.00 6 3.23
574	542	0 5 19 69.48 138.96 0.5339 3.5086 877.15 0 5 19 5.2 2.2 -2.20 0.00 180.00 6 3.25
575	543	7 3 -5 69.66 139.31 0.5333 3.5165 879.13 7 3 -5 5.8 2.3 2.33 0.00 0.00 6 3.27
576	544	3 7 5 69.66 139.31 0.5333 3.5165 879.13 3 7 5 5.8 2.3 2.33 0.00 0.00 6 3.27
577		7 2~~-10 69.67 139.33 0.5332 3.5170 879.25 7 2~~-10 9.7 3.0 3.00 0.00 0.00 6 3.27
	545	7 2 -10 69.67 139.33 0.5332 3.5170 879.25 7 2 -10 9.7 3.0 3.00 0.00 0.00 6 3.27
578	546	2 7 10 69.67 139.33 0.5332 3.5170 879.25 2 7 10 9.7 3.0 3.00 0.00 0.00 6 3.27
579		1
580
581		H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG
582
583		3 2-20 69.71 139.42 0.5331 3.5190 879.76 3 2-20 6.8 2.5 2.52 0.00 0.00 6 3.28
	547	3 2 -20 69.71 139.42 0.5331 3.5190 879.76 3 2 -20 6.8 2.5 2.52 0.00 0.00 6 3.28
584	548	2 3 20 69.71 139.42 0.5331 3.5190 879.76 2 3 20 6.8 2.5 2.52 0.00 0.00 6 3.28
585	549	1 8 8 69.89 139.77 0.5325 3.5269 881.73 1 8 8 27.4 5.0 5.03 0.00 0.00 6 3.30
586	550	8 1 -8 69.89 139.77 0.5325 3.5269 881.73 8 1 -8 27.4 5.0 5.03 0.00 0.00 6 3.30
587	551	3 4 17 69.92 139.84 0.5324 3.5284 882.11 3 4 17 0.5 0.7 0.67 0.00 0.00 6 3.30
588		4 3~~-17 69.92 139.84 0.5324 3.5284 882.11 4 3~~-17 0.5 0.7 0.67 0.00 0.00 6 3.30
	552	4 3 -17 69.92 139.84 0.5324 3.5284 882.11 4 3 -17 0.5 0.7 0.67 0.00 0.00 6 3.30
589	553	8 0 11 70.01 140.01 0.5321 3.5324 883.10 8 0 11 5.5 2.3 2.25 0.00 0.00 6 3.31
590		6 2~~-14 70.02 140.04 0.5320 3.5329 883.23 6 2~~-14 29.6 5.2 5.21 0.00 0.00 6 3.31
	554	6 2 -14 70.02 140.04 0.5320 3.5329 883.23 6 2 -14 29.6 5.2 5.21 0.00 0.00 6 3.31
591	555	2 6 14 70.02 140.04 0.5320 3.5329 883.23 2 6 14 29.6 5.2 5.21 0.00 0.00 6 3.31
592	556	6 4 -7 70.45 140.91 0.5306 3.5523 888.06 6 4 -7 109.3 9.9 -9.94 0.00 180.00 6 3.37
…	…
595	559	2 8 0 70.60 141.20 0.5301 3.5587 889.68 2 8 0 61.7 7.4 7.45 0.00 0.00 6 3.38
596	560	1 6 16 70.60 141.20 0.5301 3.5587 889.68 1 6 16 9.2 2.9 2.88 0.00 0.00 6 3.38
597		6 1~~-16 70.60 141.20 0.5301 3.5587 889.68 6 1~~-16 9.2 2.9 2.88 0.00 0.00 6 3.38
598		4 4~~-15 70.64 141.27 0.5300 3.5602 890.05 4 4~~-15 10.1 3.0 3.01 0.00 0.00 6 3.39
	561	6 1 -16 70.60 141.20 0.5301 3.5587 889.68 6 1 -16 9.2 2.9 2.88 0.00 0.00 6 3.38
	562	4 4 -15 70.64 141.27 0.5300 3.5602 890.05 4 4 -15 10.1 3.0 3.01 0.00 0.00 6 3.39
599	563	4 4 15 70.64 141.27 0.5300 3.5602 890.05 4 4 15 10.1 3.0 3.01 0.00 0.00 6 3.39
600	564	2 1 22 71.11 142.21 0.5285 3.5806 895.15 2 1 22 4.7 2.0 2.03 0.00 0.00 6 3.45
601		1 2~~-22 71.11 142.21 0.5285 3.5806 895.15 1 2~~-22 4.7 2.0 2.03 0.00 0.00 6 3.45
	565	1 2 -22 71.11 142.21 0.5285 3.5806 895.15 1 2 -22 4.7 2.0 2.03 0.00 0.00 6 3.45
602	566	8 2 3 72.04 144.08 0.5256 3.6198 904.94 8 2 3 0.0 0.1 -0.10 0.00 180.00 6 3.58
603	567	2 8 -3 72.04 144.08 0.5256 3.6198 904.94 2 8 -3 0.0 0.1 -0.10 0.00 180.00 6 3.58
…	…
605	569	2 8 3 72.04 144.08 0.5256 3.6198 904.94 2 8 3 4.9 2.0 2.04 0.00 0.00 6 3.58
606	570	0 1 23 72.34 144.67 0.5247 3.6317 907.93 0 1 23 3.9 1.8 -1.81 0.00 180.00 6 3.63
607		4 2~~-19 72.43 144.87 0.5245 3.6357 908.92 4 2~~-19 17.3 3.8 -3.81 0.00 180.00 6 3.65
	571	4 2 -19 72.43 144.87 0.5245 3.6357 908.92 4 2 -19 17.3 3.8 -3.81 0.00 180.00 6 3.65
608	572	2 4 19 72.43 144.87 0.5245 3.6357 908.92 2 4 19 17.3 3.8 -3.81 0.00 180.00 6 3.65
609		3 6~~-12 72.70 145.39 0.5237 3.6461 911.52 3 6~~-12 12.6 3.2 -3.23 0.00 180.00 6 3.69
	573	3 6 -12 72.70 145.39 0.5237 3.6461 911.52 3 6 -12 12.6 3.2 -3.23 0.00 180.00 6 3.69
610	574	6 3 12 72.70 145.39 0.5237 3.6461 911.52 6 3 12 12.6 3.2 -3.23 0.00 180.00 6 3.69
611	575	3 6 12 72.70 145.39 0.5237 3.6461 911.52 3 6 12 10.4 2.9 2.93 0.00 0.00 6 3.69
612		6 3~~-12 72.70 145.39 0.5237 3.6461 911.52 6 3~~-12 10.4 2.9 2.93 0.00 0.00 6 3.69
	576	6 3 -12 72.70 145.39 0.5237 3.6461 911.52 6 3 -12 10.4 2.9 2.93 0.00 0.00 6 3.69
613	577	6 4 8 72.90 145.79 0.5231 3.6540 913.51 6 4 8 2.8 1.5 -1.51 0.00 180.00 6 3.72
614	578	4 6 -8 72.90 145.79 0.5231 3.6540 913.51 4 6 -8 2.8 1.5 -1.51 0.00 180.00 6 3.72
615	579	7 2 11 73.04 146.07 0.5227 3.6595 914.88 7 2 11 18.1 3.8 -3.84 0.00 180.00 6 3.75
616		2 7~~-11 73.04 146.07 0.5227 3.6595 914.88 2 7~~-11 18.1 3.8 -3.84 0.00 180.00 6 3.75
	580	2 7 -11 73.04 146.07 0.5227 3.6595 914.88 2 7 -11 18.1 3.8 -3.84 0.00 180.00 6 3.75
617	581	0 9 6 73.46 146.92 0.5216 3.6759 918.97 0 9 6 0.0 0.2 -0.19 0.00 180.00 6 3.82
618	582	9 0 6 73.46 146.92 0.5216 3.6759 918.97 9 0 6 0.1 0.3 -0.26 0.00 180.00 6 3.82
…	…
624	588	5 5 -9 74.86 149.71 0.5180 3.7270 931.75 5 5 -9 8.8 2.6 -2.55 0.00 180.00 6 4.11
625	589	5 4 13 74.97 149.94 0.5177 3.7310 932.75 5 4 13 0.2 0.3 0.35 0.00 0.00 6 4.13
626		4 5~~-13 74.97 149.94 0.5177 3.7310 932.75 4 5~~-13 0.2 0.3 0.35 0.00 0.00 6 4.13
	590	4 5 -13 74.97 149.94 0.5177 3.7310 932.75 4 5 -13 0.2 0.3 0.35 0.00 0.00 6 4.13
627	591	2 0 23 75.79 151.57 0.5158 3.7588 939.71 2 0 23 0.1 0.2 0.24 0.00 0.00 6 4.33
628	592	5 1 19 75.91 151.81 0.5155 3.7628 940.70 5 1 19 1.9 1.2 1.16 0.00 0.00 6 4.37
629		1 5~~-19 75.91 151.81 0.5155 3.7628 940.70 1 5~~-19 1.9 1.2 1.16 0.00 0.00 6 4.37
630		1 8~~-10 76.16 152.33 0.5149 3.7712 942.80 1 8~~-10 11.1 2.8 2.77 0.00 0.00 6 4.43
	593	1 5 -19 75.91 151.81 0.5155 3.7628 940.70 1 5 -19 1.9 1.2 1.16 0.00 0.00 6 4.37
	594	1 8 -10 76.16 152.33 0.5149 3.7712 942.80 1 8 -10 11.1 2.8 2.77 0.00 0.00 6 4.43
631	595	8 1 10 76.16 152.33 0.5149 3.7712 942.80 8 1 10 11.1 2.8 2.77 0.00 0.00 6 4.43
632	596	5 0 20 76.23 152.45 0.5148 3.7732 943.30 5 0 20 13.8 3.1 3.07 0.00 0.00 6 4.45
…	…
634	598	7 3 -8 76.47 152.94 0.5143 3.7811 945.28 7 3 -8 0.0 0.0 -0.03 0.00 180.00 6 4.52
635	599	6 1 17 76.52 153.04 0.5142 3.7826 945.66 6 1 17 38.4 5.1 -5.08 0.00 180.00 6 4.54
636		1 6~~-17 76.52 153.04 0.5142 3.7826 945.66 1 6~~-17 38.4 5.1 -5.08 0.00 180.00 6 4.54
	600	1 6 -17 76.52 153.04 0.5142 3.7826 945.66 1 6 -17 38.4 5.1 -5.08 0.00 180.00 6 4.54
637	601	2 8 6 77.18 154.35 0.5128 3.8030 950.74 2 8 6 42.3 5.2 -5.21 0.00 180.00 6 4.74
638	602	8 2 6 77.18 154.35 0.5128 3.8030 950.74 8 2 6 14.4 3.0 -3.04 0.00 180.00 6 4.74
639	603	2 8 -6 77.18 154.35 0.5128 3.8030 950.74 2 8 -6 14.4 3.0 -3.04 0.00 180.00 6 4.74
640		1
641
642		~~H K L THETA 2THETA D VALUE 1/D*2 SIN21000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG~~
643
644	604	8 2 -6 77.18 154.35 0.5128 3.8030 950.74 8 2 -6 42.3 5.2 -5.21 0.00 180.00 6 4.74
645	605	3 5 16 77.51 155.02 0.5121 3.8129 953.23 3 5 16 0.9 0.8 -0.75 0.00 180.00 6 4.85
646		5 3~~-16 77.51 155.02 0.5121 3.8129 953.23 5 3~~-16 0.9 0.8 -0.75 0.00 180.00 6 4.85
	606	5 3 -16 77.51 155.02 0.5121 3.8129 953.23 5 3 -16 0.9 0.8 -0.75 0.00 180.00 6 4.85
647	607	7 0 16 77.51 155.02 0.5121 3.8129 953.23 7 0 16 12.0 2.7 -2.74 0.00 180.00 6 4.85
648		3 1~~-22 78.27 156.55 0.5107 3.8348 958.70 3 1~~-22 5.9 1.9 1.87 0.00 0.00 6 5.13
	608	3 1 -22 78.27 156.55 0.5107 3.8348 958.70 3 1 -22 5.9 1.9 1.87 0.00 0.00 6 5.13
649	609	1 3 22 78.27 156.55 0.5107 3.8348 958.70 1 3 22 5.9 1.9 1.87 0.00 0.00 6 5.13
650		5 2~~-18 78.86 157.72 0.5096 3.8507 962.67 5 2~~-18 19.0 3.3 3.28 0.00 0.00 6 5.38
	610	5 2 -18 78.86 157.72 0.5096 3.8507 962.67 5 2 -18 19.0 3.3 3.28 0.00 0.00 6 5.38
651	611	2 5 18 78.86 157.72 0.5096 3.8507 962.67 2 5 18 19.0 3.3 3.28 0.00 0.00 6 5.38
652	612	5 2 18 78.86 157.72 0.5096 3.8507 962.67 5 2 18 21.7 3.5 3.51 0.00 0.00 6 5.38
653		2 5~~-18 78.86 157.72 0.5096 3.8507 962.67 2 5~~-18 21.7 3.5 3.51 0.00 0.00 6 5.38
	613	2 5 -18 78.86 157.72 0.5096 3.8507 962.67 2 5 -18 21.7 3.5 3.51 0.00 0.00 6 5.38
654	614	0 8 13 79.14 158.29 0.5091 3.8581 964.52 0 8 13 24.7 3.7 3.70 0.00 0.00 6 5.50
655	615	5 6 -1 79.30 158.60 0.5089 3.8621 965.51 5 6 -1 16.3 3.0 -2.98 0.00 180.00 6 5.58
…	…
658	618	6 5 1 79.30 158.60 0.5089 3.8621 965.51 6 5 1 16.3 3.0 -2.98 0.00 180.00 6 5.58
659	619	4 1 21 80.11 160.22 0.5075 3.8819 970.49 4 1 21 5.4 1.7 1.65 0.00 0.00 6 6.00
660		1 4~~-21 80.11 160.22 0.5075 3.8819 970.49 1 4~~-21 5.4 1.7 1.65 0.00 0.00 6 6.00
	620	1 4 -21 80.11 160.22 0.5075 3.8819 970.49 1 4 -21 5.4 1.7 1.65 0.00 0.00 6 6.00
661	621	1 4 21 80.11 160.22 0.5075 3.8819 970.49 1 4 21 13.4 2.6 2.61 0.00 0.00 6 6.00
662		4 1~~-21 80.11 160.22 0.5075 3.8819 970.49 4 1~~-21 13.4 2.6 2.61 0.00 0.00 6 6.00
	622	4 1 -21 80.11 160.22 0.5075 3.8819 970.49 4 1 -21 13.4 2.6 2.61 0.00 0.00 6 6.00
663	623	5 6 2 80.13 160.25 0.5075 3.8824 970.60 5 6 2 2.5 1.1 1.13 0.00 0.00 6 6.01
664	624	6 5 -2 80.13 160.25 0.5075 3.8824 970.60 6 5 -2 2.5 1.1 1.13 0.00 0.00 6 6.01
…	…
666	626	9 1 2 80.13 160.25 0.5075 3.8824 970.60 9 1 2 0.6 0.6 0.57 0.00 0.00 6 6.01
667	627	1 2 23 80.28 160.56 0.5073 3.8859 971.48 1 2 23 1.9 1.0 0.98 0.00 0.00 6 6.10
668		2 1~~-23 80.28 160.56 0.5073 3.8859 971.48 2 1~~-23 1.9 1.0 0.98 0.00 0.00 6 6.10
669		6 4~~-10 80.83 161.65 0.5065 3.8983 974.58 6 4~~-10 10.7 2.3 2.25 0.00 0.00 6 6.44
	628	2 1 -23 80.28 160.56 0.5073 3.8859 971.48 2 1 -23 1.9 1.0 0.98 0.00 0.00 6 6.10
	629	6 4 -10 80.83 161.65 0.5065 3.8983 974.58 6 4 -10 10.7 2.3 2.25 0.00 0.00 6 6.44
670	630	4 6 10 80.83 161.65 0.5065 3.8983 974.58 4 6 10 10.7 2.3 2.25 0.00 0.00 6 6.44
671		2 4~~-20 80.92 161.83 0.5063 3.9003 975.08 2 4~~-20 33.7 4.0 -3.97 0.00 180.00 6 6.50
	631	2 4 -20 80.92 161.83 0.5063 3.9003 975.08 2 4 -20 33.7 4.0 -3.97 0.00 180.00 6 6.50
672	632	4 2 20 80.92 161.83 0.5063 3.9003 975.08 4 2 20 33.7 4.0 -3.97 0.00 180.00 6 6.50
673	633	0 0 24 81.29 162.58 0.5058 3.9083 977.07 0 0 24 0.0 0.1 0.06 0.00 0.00 2 6.76
674	634	1 8 11 81.55 163.11 0.5055 3.9137 978.42 1 8 11 0.7 0.6 -0.57 0.00 180.00 6 6.96
675		8 1~~-11 81.55 163.11 0.5055 3.9137 978.42 8 1~~-11 0.7 0.6 -0.57 0.00 180.00 6 6.96
	635	8 1 -11 81.55 163.11 0.5055 3.9137 978.42 8 1 -11 0.7 0.6 -0.57 0.00 180.00 6 6.96
676	636	4 5 14 81.58 163.16 0.5055 3.9142 978.55 4 5 14 5.6 1.6 -1.57 0.00 180.00 6 6.98
677		5 4~~-14 81.58 163.16 0.5055 3.9142 978.55 5 4~~-14 5.6 1.6 -1.57 0.00 180.00 6 6.98
	637	5 4 -14 81.58 163.16 0.5055 3.9142 978.55 5 4 -14 5.6 1.6 -1.57 0.00 180.00 6 6.98
678	638	4 7 0 82.96 165.93 0.5038 3.9400 985.00 4 7 0 0.0 0.1 0.12 0.00 0.00 6 8.29
679	639	7 4 0 82.96 165.93 0.5038 3.9400 985.00 7 4 0 0.0 0.1 0.12 0.00 0.00 6 8.29
680	640	6 2 16 82.97 165.93 0.5038 3.9400 985.01 6 2 16 46.3 4.1 4.12 0.00 0.00 6 8.29
681		2 6~~-16 82.97 165.93 0.5038 3.9400 985.01 2 6~~-16 46.3 4.1 4.12 0.00 0.00 6 8.29
682		1 7~~-15 83.05 166.11 0.5037 3.9415 985.38 1 7~~-15 12.7 2.1 -2.15 0.00 180.00 6 8.39
	641	2 6 -16 82.97 165.93 0.5038 3.9400 985.01 2 6 -16 46.3 4.1 4.12 0.00 0.00 6 8.29
	642	1 7 -15 83.05 166.11 0.5037 3.9415 985.38 1 7 -15 12.7 2.1 -2.15 0.00 180.00 6 8.39
683	643	1 7 15 83.05 166.11 0.5037 3.9415 985.38 1 7 15 1.5 0.7 -0.74 0.00 180.00 6 8.39
684	644	7 1 15 83.05 166.11 0.5037 3.9415 985.38 7 1 15 12.7 2.1 -2.15 0.00 180.00 6 8.39
685		7 1~~-15 83.05 166.11 0.5037 3.9415 985.38 7 1~~-15 1.5 0.7 -0.74 0.00 180.00 6 8.39
	645	7 1 -15 83.05 166.11 0.5037 3.9415 985.38 7 1 -15 1.5 0.7 -0.74 0.00 180.00 6 8.39
686	646	4 0 22 84.40 168.80 0.5024 3.9619 990.47 4 0 22 21.9 2.5 -2.54 0.00 180.00 6 10.34
687	647	1 9 4 84.54 169.09 0.5023 3.9638 990.96 1 9 4 37.0 3.3 -3.26 0.00 180.00 6 10.61
…	…
691	651	0 9 9 86.07 172.14 0.5012 3.9812 995.30 0 9 9 33.6 2.6 2.64 0.00 0.00 6 14.66
692	652	9 0 9 86.07 172.14 0.5012 3.9812 995.30 9 0 9 34.2 2.7 2.67 0.00 0.00 6 14.66
693		7 2~~-13 86.51 173.02 0.5009 3.9852 996.30 7 2~~-13 5.0 1.0 0.96 0.00 0.00 6 16.50
	653	7 2 -13 86.51 173.02 0.5009 3.9852 996.30 7 2 -13 5.0 1.0 0.96 0.00 0.00 6 16.50
694	654	2 7 13 86.51 173.02 0.5009 3.9852 996.30 2 7 13 5.0 1.0 0.96 0.00 0.00 6 16.50
695	655
696
697		~~NHKL= 621~~
698
699
700
701
702		~~PROFILE CALCULATION:~~
703
704		~~WA= 0.100 DW= 0.100 WE= 180.000 NW= 1800 W0= 0.000 WU= 360.000~~
705
706		~~PH= 0.1791 QH= -0.4503 RH= 0.4000 C= 1.00~~
707
708
709		~~2T HW Y 2T HW Y 2T HW Y~~
710
711		~~12.729 0.593 374.474 14.195 0.589 104.489 15.150 0.586 90.138~~
712		~~20.536 0.569 70.768 22.402 0.564 527.719 24.234 0.558 485.496~~
713		~~25.053 0.556 4.846 25.053 0.556 4.846 25.618 0.554 81.932~~
714		~~26.619 0.551 45.280 28.614 0.545 410.924 30.572 0.539 13.043~~
715		~~31.970 0.535 886.696 31.970 0.535 886.696 33.055 0.531 70.303~~
716		~~33.055 0.531 70.303 33.855 0.529 22.737 35.480 0.524 47.859~~
717		~~35.480 0.524 47.859 35.651 0.523 37.156 35.967 0.522 46.308~~
718		~~37.114 0.519 9.477 37.114 0.519 9.477 38.847 0.513 326.082~~
719		~~38.847 0.513 93.173 39.923 0.510 91.081 39.923 0.510 91.081~~
720		~~40.387 0.509 470.234 41.493 0.505 1000.000 41.772 0.504 599.082~~
721		~~43.515 0.499 0.105 43.844 0.498 77.190 43.844 0.498 77.190~~
722		~~44.334 0.496 18.650 44.334 0.496 18.650 44.679 0.495 101.578~~
723		~~44.679 0.495 101.578 45.722 0.492 13.247 46.589 0.489 431.764~~
724		~~46.589 0.489 9.709 46.726 0.489 32.285 46.726 0.489 32.285~~
725		~~47.907 0.485 29.641 47.907 0.485 29.641 48.574 0.483 14.337~~
726		~~48.574 0.483 14.337 48.877 0.482 8.679 49.646 0.480 363.298~~
727		~~50.222 0.478 139.829 50.222 0.478 139.829 50.241 0.478 112.113~~
728		~~50.610 0.477 8.511 50.610 0.477 8.511 51.415 0.474 134.591~~
729		~~51.415 0.474 134.591 52.642 0.470 8.370 53.549 0.467 39.632~~
730		~~53.549 0.467 39.632 54.271 0.465 7.908 54.271 0.465 7.908~~
731		~~54.812 0.463 26.466 54.830 0.463 44.944 55.367 0.462 3.016~~
732		~~56.056 0.459 54.029 56.056 0.459 54.029 56.278 0.459 2.568~~
733		~~56.278 0.459 2.568 57.095 0.456 41.584 57.095 0.456 41.584~~
734		~~57.686 0.454 116.561 57.686 0.454 74.126 58.357 0.452 2.992~~
735		~~58.357 0.452 2.992 58.357 0.452 1.464 58.357 0.452 1.464~~
736		~~59.155 0.450 1.514 59.155 0.450 1.514 59.172 0.450 3.399~~
737		~~59.172 0.450 3.399 59.238 0.449 0.055 59.503 0.448 100.109~~
738		~~59.503 0.448 100.109 59.684 0.448 10.998 60.341 0.446 87.175~~
739		~~61.900 0.441 156.639 61.900 0.441 156.639 62.158 0.440 156.731~~
740		~~62.815 0.438 4.665 63.390 0.436 14.515 63.390 0.436 14.515~~
741		~~63.644 0.435 126.959 63.819 0.435 2.705 63.819 0.435 2.705~~
742		~~64.340 0.433 6.294 64.340 0.433 28.138 64.340 0.433 28.138~~
743		~~64.340 0.433 6.294 64.451 0.433 10.286 64.451 0.433 10.286~~
744		~~64.655 0.432 142.714 65.408 0.430 3.884 66.080 0.428 60.424~~
745		~~66.203 0.427 79.221 66.203 0.427 79.221 66.576 0.426 31.835~~
746		~~66.576 0.426 31.835 66.839 0.425 95.508 66.839 0.425 95.508~~
747		~~67.318 0.424 32.436 67.334 0.424 41.986 67.334 0.424 41.986~~
748		~~67.641 0.423 102.767 67.641 0.423 102.767 69.354 0.417 92.825~~
749		~~69.354 0.417 92.825 70.006 0.415 166.206 70.127 0.415 24.370~~
750		~~70.127 0.415 24.370 70.746 0.413 20.119 70.746 0.413 20.119~~
751		~~71.212 0.412 105.055 71.212 0.412 105.055 71.227 0.412 16.571~~
752		~~71.287 0.411 37.780 71.287 0.411 40.907 71.692 0.410 62.692~~
753		~~71.692 0.410 62.692 71.708 0.410 83.062 72.186 0.409 0.425~~
754		~~72.186 0.409 0.425 72.290 0.408 3.480 73.199 0.405 3.618~~
755		~~73.199 0.405 3.618 73.718 0.404 8.899 73.718 0.404 10.729~~
756		~~73.718 0.404 10.729 73.718 0.404 8.899 73.837 0.403 1.146~~
757		~~73.837 0.403 1.146 75.018 0.400 34.421 75.018 0.400 34.421~~
758		~~75.033 0.400 26.767 75.033 0.400 26.767 75.092 0.400 39.140~~
759		~~75.092 0.400 39.140 75.327 0.399 7.737 75.489 0.398 44.962~~
760		~~75.504 0.398 119.189 76.075 0.397 82.711 76.075 0.397 82.711~~
761		~~76.266 0.396 75.660 76.310 0.396 3.086 77.711 0.392 2.268~~
762		~~77.711 0.392 2.268 78.060 0.391 94.807 78.060 0.391 4.032~~
763		~~78.307 0.390 1.695 78.307 0.390 1.695 79.061 0.388 0.117~~
764		~~79.061 0.388 0.117 79.221 0.387 0.520 79.221 0.387 0.520~~
765		~~79.236 0.387 6.498 79.236 0.387 6.498 79.799 0.386 12.492~~
766		~~79.799 0.386 12.492 79.987 0.385 5.946 79.987 0.385 5.946~~
767		~~80.031 0.385 10.594 80.031 0.385 10.594 80.680 0.383 39.183~~
768		~~80.680 0.383 39.183 81.184 0.382 26.822 81.184 0.382 26.822~~
769		~~81.299 0.381 3.108 81.299 0.381 3.108 81.759 0.380 2.860~~
770		~~81.759 0.380 0.009 81.759 0.380 2.860 81.759 0.380 0.009~~
771		~~82.448 0.378 7.111 82.448 0.378 7.111 82.463 0.378 0.026~~
772		~~82.750 0.377 47.504 82.750 0.377 47.504 83.380 0.376 119.280~~
773		~~83.380 0.376 0.329 83.667 0.375 13.887 84.967 0.371 110.812~~
774		~~85.081 0.371 105.030 85.081 0.371 105.030 85.666 0.369 14.385~~
775		~~85.666 0.369 14.385 86.123 0.368 19.872 86.123 0.368 19.872~~
776		~~86.180 0.368 1.761 86.180 0.368 1.761 86.180 0.368 9.236~~
777		~~86.180 0.368 9.236 86.564 0.367 0.017 86.579 0.367 0.592~~
778		~~86.579 0.367 0.592 87.034 0.366 1.807 87.034 0.366 8.697~~
779		~~87.034 0.366 8.697 87.034 0.366 1.807 87.134 0.366 4.158~~
780		~~87.134 0.366 4.158 87.320 0.365 4.650 87.362 0.365 18.334~~
781		~~87.362 0.365 55.080 88.002 0.364 0.774 88.002 0.364 0.774~~
782		~~88.615 0.362 18.914 88.615 0.362 18.914 89.752 0.359 11.066~~
783		~~89.752 0.359 11.066 89.767 0.359 20.107 89.767 0.359 20.107~~
784		~~90.051 0.359 86.678 90.051 0.359 86.678 90.094 0.359 0.001~~
785		~~90.208 0.358 4.675 90.208 0.358 4.675 90.222 0.358 44.758~~
786		~~90.961 0.357 144.950 90.962 0.357 9.958 90.962 0.357 9.958~~
787		~~91.004 0.357 25.432 91.004 0.357 25.432 92.142 0.354 93.504~~
788		~~92.142 0.354 118.360 92.370 0.354 9.855 92.370 0.354 13.310~~
789		~~92.370 0.354 9.855 92.712 0.353 0.292 92.712 0.353 0.292~~
790		~~92.954 0.353 6.161 92.954 0.353 24.735 92.954 0.353 6.161~~
791		~~93.467 0.352 37.989 93.467 0.352 37.989 93.738 0.351 5.523~~
792		~~93.852 0.351 23.339 93.852 0.351 23.339 93.866 0.351 33.729~~
793		~~93.866 0.351 33.729 94.422 0.350 11.148 94.422 0.350 11.148~~
794		~~95.292 0.349 0.068 95.292 0.349 0.068 95.292 0.349 10.223~~
795		~~95.693 0.348 14.744 95.793 0.348 1.582 95.793 0.348 1.145~~
796		~~95.793 0.348 1.582 95.793 0.348 1.145 95.907 0.348 0.800~~
797		~~96.021 0.348 0.270 96.021 0.348 0.270 96.608 0.347 42.055~~
798		~~96.608 0.347 42.055 97.052 0.346 10.250 97.052 0.346 10.250~~
799		~~97.052 0.346 38.593 97.067 0.346 31.392 97.067 0.346 31.392~~
800		~~97.353 0.346 0.528 97.353 0.346 0.528 97.397 0.346 41.950~~
801		~~97.397 0.346 41.950 97.985 0.345 39.660 97.985 0.345 39.660~~
802		~~98.273 0.345 8.457 98.273 0.345 8.457 98.962 0.344 1.482~~
803		~~98.962 0.344 1.482 99.367 0.344 17.360 99.367 0.344 17.360~~
804		~~99.582 0.343 11.352 99.582 0.343 11.352 100.738 0.343 4.483~~
805		~~100.738 0.343 4.483 101.202 0.342 1.179 101.202 0.342 1.179~~
806		~~101.217 0.342 2.184 101.782 0.342 3.662 101.782 0.342 3.662~~
807		~~101.782 0.342 19.092 101.971 0.342 0.007 101.971 0.342 0.007~~
808		~~101.972 0.342 53.942 102.015 0.342 2.005 102.015 0.342 9.637~~
809		~~102.015 0.342 9.637 102.015 0.342 2.005 103.298 0.342 0.230~~
810		~~103.298 0.342 0.230 103.766 0.342 0.283 103.766 0.342 0.283~~
811		~~103.766 0.342 1.390 103.766 0.342 1.390 104.236 0.342 2.310~~
812		~~104.485 0.342 2.581 104.485 0.342 2.581 104.543 0.342 90.864~~
813		~~104.543 0.342 3.095 104.778 0.342 24.665 104.778 0.342 32.648~~
814		~~104.778 0.342 32.648 104.823 0.342 6.896 104.823 0.342 6.896~~
815		~~104.955 0.343 4.404 104.955 0.343 4.404 105.530 0.343 43.553~~
816		~~105.530 0.343 43.553 105.722 0.343 7.985 105.722 0.343 7.985~~
817		~~106.849 0.344 0.107 106.849 0.344 3.222 106.952 0.344 20.895~~
818		~~106.952 0.344 20.895 107.190 0.345 49.434 107.190 0.345 49.434~~
819		~~107.801 0.345 4.326 107.801 0.345 4.326 108.027 0.346 19.676~~
820		~~108.340 0.346 3.080 108.340 0.346 8.215 108.340 0.346 3.080~~
821		~~108.340 0.346 8.215 108.580 0.347 20.733 108.580 0.347 20.733~~
822		~~108.626 0.347 39.054 108.745 0.347 2.864 108.745 0.347 2.864~~
823		~~108.761 0.347 0.127 108.761 0.347 0.127 109.242 0.348 2.580~~
824		~~109.242 0.348 11.024 109.242 0.348 2.580 109.242 0.348 11.024~~
825		~~109.543 0.349 2.877 109.543 0.349 2.877 109.589 0.349 16.390~~
826		~~109.589 0.349 16.390 110.269 0.350 0.367 110.269 0.350 0.367~~
827		~~110.695 0.351 0.112 110.695 0.351 0.112 110.923 0.352 24.779~~
828		~~110.923 0.352 24.779 111.044 0.352 9.070 111.411 0.353 24.881~~
829		~~111.411 0.353 7.253 111.411 0.353 24.881 111.411 0.353 7.253~~
830		~~111.671 0.354 36.433 111.901 0.355 10.868 111.901 0.355 10.868~~
831		~~112.146 0.356 7.086 112.146 0.356 7.086 112.161 0.356 13.435~~
832		~~112.161 0.356 14.285 112.161 0.356 14.285 112.224 0.356 5.974~~
833		~~112.516 0.357 0.961 112.516 0.357 0.961 113.458 0.360 2.740~~
834		~~114.204 0.363 17.123 115.001 0.367 9.568 115.001 0.367 9.568~~
835		~~115.646 0.370 9.545 115.646 0.370 9.545 116.137 0.372 22.756~~
836		~~116.153 0.372 0.543 116.153 0.372 0.543 116.217 0.373 57.271~~
837		~~116.645 0.375 27.258 116.645 0.375 11.610 116.645 0.375 11.610~~
838		~~116.661 0.375 34.112 116.661 0.375 34.112 117.171 0.378 0.872~~
839		~~117.171 0.378 0.872 117.171 0.378 47.986 117.171 0.378 47.986~~
840		~~117.283 0.379 3.830 117.283 0.379 3.830 117.492 0.380 33.716~~
841		~~117.492 0.380 33.716 118.264 0.385 3.582 118.264 0.385 3.582~~
842		~~118.830 0.388 6.426 118.830 0.388 7.387 118.830 0.388 6.426~~
843		~~118.830 0.388 7.387 118.961 0.389 0.319 118.961 0.389 0.319~~
844		~~119.745 0.395 22.398 120.007 0.397 2.137 120.007 0.397 2.137~~
845		~~120.269 0.399 18.534 120.269 0.399 18.534 120.352 0.399 7.078~~
846		~~120.352 0.399 7.078 120.353 0.399 19.379 120.353 0.399 19.379~~
847		~~120.616 0.401 1.866 120.616 0.401 1.866 120.666 0.402 23.377~~
848		~~120.798 0.403 5.420 120.798 0.403 5.420 121.462 0.408 26.750~~
849		~~121.680 0.410 2.437 121.680 0.410 2.437 121.730 0.411 0.153~~
850		~~121.730 0.411 74.326 122.959 0.422 8.048 122.959 0.422 8.048~~
851		~~122.959 0.422 9.951 122.959 0.422 9.951 123.349 0.425 6.264~~
852		~~123.349 0.425 6.264 124.034 0.432 4.399 124.034 0.432 4.399~~
853		~~124.050 0.432 0.784 124.050 0.432 0.784 124.309 0.435 86.047~~
854		~~124.947 0.442 2.440 125.000 0.443 0.004 125.000 0.443 0.004~~
855		~~125.156 0.444 3.697 125.156 0.444 3.697 125.837 0.452 7.753~~
856		~~125.837 0.452 7.753 126.065 0.455 0.106 126.119 0.455 2.640~~
857		~~126.119 0.455 7.946 126.119 0.455 7.946 126.119 0.455 2.640~~
858		~~126.915 0.465 6.087 126.915 0.465 6.087 127.540 0.473 12.546~~
859		~~127.540 0.473 12.546 127.540 0.473 19.782 127.540 0.473 19.782~~
860		~~127.684 0.475 0.193 127.684 0.475 3.088 127.684 0.475 0.193~~
861		~~127.827 0.477 10.867 127.827 0.477 10.867 128.261 0.483 0.169~~
862		~~128.261 0.483 0.169 128.569 0.487 0.235 128.569 0.487 0.235~~
863		~~128.844 0.491 0.317 128.844 0.491 0.317 129.136 0.495 0.085~~
864		~~129.136 0.495 0.085 129.154 0.495 0.301 129.154 0.495 0.301~~
865		~~129.229 0.496 0.917 129.229 0.496 0.917 129.522 0.501 18.040~~
866		~~129.522 0.501 18.040 129.578 0.502 4.183 129.578 0.502 4.183~~
867		~~130.713 0.519 6.388 130.713 0.519 6.388 131.544 0.533 6.982~~
868		~~131.619 0.534 0.388 131.619 0.534 0.388 132.155 0.543 63.640~~
869		~~132.155 0.543 63.640 132.443 0.548 50.386 132.443 0.548 50.386~~
870		~~132.597 0.551 58.536 132.597 0.551 58.536 133.376 0.565 0.796~~
871		~~133.376 0.565 51.411 133.394 0.566 10.504 133.394 0.566 10.504~~
872		~~134.004 0.577 0.100 134.004 0.577 0.100 134.024 0.578 2.021~~
873		~~134.103 0.579 0.152 134.103 0.579 3.002 134.103 0.579 0.152~~
874		~~134.103 0.579 3.002 134.104 0.579 2.544 134.640 0.590 0.486~~
875		~~134.640 0.590 0.486 134.661 0.590 1.554 134.661 0.590 1.468~~
876		~~134.661 0.590 1.468 135.303 0.604 5.398 135.303 0.604 5.398~~
877		~~135.445 0.607 1.721 135.445 0.607 1.721 135.709 0.612 30.819~~
878		~~136.615 0.632 14.236 136.696 0.634 0.484 136.696 0.634 0.484~~
879		~~138.274 0.672 7.271 138.274 0.672 7.506 138.619 0.681 15.910~~
880		~~138.619 0.681 15.910 138.964 0.690 5.189 139.311 0.699 5.836~~
881		~~139.311 0.699 5.836 139.333 0.699 9.676 139.333 0.699 9.676~~
882		~~139.421 0.702 6.839 139.421 0.702 6.839 139.771 0.711 27.396~~
883		~~139.771 0.711 27.396 139.838 0.713 0.493 139.838 0.713 0.493~~
884		~~140.014 0.718 5.521 140.037 0.718 29.568 140.037 0.718 29.568~~
885		~~140.908 0.743 109.301 140.908 0.743 109.301 141.201 0.752 61.675~~
886		~~141.201 0.752 61.675 141.202 0.752 9.198 141.202 0.752 9.198~~
887		~~141.271 0.754 10.101 141.271 0.754 10.101 142.213 0.783 4.651~~
888		~~142.213 0.783 4.651 144.085 0.846 0.012 144.085 0.846 0.012~~
889		~~144.085 0.846 4.910 144.085 0.846 4.910 144.673 0.867 3.907~~
890		~~144.870 0.875 17.349 144.870 0.875 17.349 145.391 0.894 12.648~~
891		~~145.391 0.894 12.648 145.391 0.894 10.372 145.391 0.894 10.372~~
892		~~145.794 0.910 2.801 145.794 0.910 2.801 146.073 0.921 18.146~~
893		~~146.073 0.921 18.146 146.923 0.956 0.045 146.923 0.956 0.088~~
894		~~147.106 0.964 11.051 147.106 0.964 11.051 149.517 1.077 1.923~~
895		~~149.517 1.077 11.010 149.713 1.087 8.804 149.713 1.087 8.804~~
896		~~149.940 1.099 0.163 149.940 1.099 0.163 151.572 1.189 0.080~~
897		~~151.811 1.203 1.931 151.811 1.203 1.931 152.326 1.234 11.147~~
898		~~152.326 1.234 11.147 152.450 1.242 13.770 152.944 1.274 0.001~~
899		~~152.944 1.274 0.001 153.040 1.280 38.424 153.040 1.280 38.424~~
900		~~154.354 1.371 42.316 154.354 1.371 14.409 154.354 1.371 14.409~~
901		~~154.354 1.371 42.316 155.021 1.420 0.899 155.021 1.420 0.899~~
902		~~155.021 1.420 11.994 156.548 1.545 5.923 156.548 1.545 5.923~~
903		~~157.718 1.653 19.048 157.718 1.653 19.048 157.718 1.653 21.714~~
904		~~157.718 1.653 21.714 158.287 1.709 24.735 158.595 1.741 16.272~~
905		~~158.595 1.741 1.514 158.595 1.741 1.514 158.595 1.741 16.272~~
906		~~160.216 1.925 5.369 160.216 1.925 5.369 160.216 1.925 13.394~~
907		~~160.216 1.925 13.394 160.255 1.930 2.516 160.255 1.930 2.516~~
908		~~160.255 1.930 0.636 160.255 1.930 0.636 160.556 1.968 1.907~~
909		~~160.556 1.968 1.907 161.650 2.116 10.732 161.650 2.116 10.732~~
910		~~161.834 2.143 33.717 161.834 2.143 33.717 162.580 2.257 0.003~~
911		~~163.107 2.343 0.749 163.107 2.343 0.749 163.156 2.351 5.621~~
912		~~163.156 2.351 5.621 165.930 2.917 0.038 165.930 2.917 0.038~~
913		~~165.933 2.918 46.271 165.933 2.918 46.271 166.109 2.962 12.708~~
914		~~166.109 2.962 1.509 166.109 2.962 12.708 166.109 2.962 1.509~~
915		~~168.796 3.798 21.872 169.087 3.913 36.984 169.087 3.913 9.555~~
916		~~169.087 3.913 9.555 169.087 3.913 36.984 172.140 5.639 33.575~~
917		~~172.140 5.639 34.245 173.023 6.420 4.970 173.023 6.420 4.970~~
918
919

branches/mcxtrace-1.0/nlib/optics/Monochromator_curved.comp

r3256	r3277
180	180	}
181	181
182		if (reflect != NULL && r0)
	182	if (reflect != NULL && r0 && strlen(reflect) && strcmp(reflect,"NULL") && strcmp(reflect,"0"))
183	183	{
184		if (verbose) fprintf(stdout, "Monochromator_curved : %s : Reflectivity data (k, R)~~\n", NAME_CURRENT_COMP~~);
	184	if (verbose) fprintf(stdout, "Monochromator_curved : %s : Reflectivity data (k, R) from %s\n", NAME_CURRENT_COMP, reflect);
185	185	Table_Read(&rTable, reflect, 1); /* read 1st block data from file into rTable */
186	186	Table_Rebin(&rTable); /* rebin as evenly, increasing array */
…	…
189	189	} else rTable.data = NULL;
190	190
191		if (transmit != NULL)
	191	if (transmit != NULL && strlen(transmit) && strcmp(transmit,"NULL") && strcmp(transmit,"0"))
192	192	{
193		if (verbose) fprintf(stdout, "Monochromator_curved : %s : Transmission data (k, T)~~\n", NAME_CURRENT_COMP~~);
	193	if (verbose) fprintf(stdout, "Monochromator_curved : %s : Transmission data (k, T) from %s\n", NAME_CURRENT_COMP, transmit);
194	194	Table_Read(&tTable, transmit, 1); /* read 1st block data from file into rTable */
195	195	Table_Rebin(&tTable); /* rebin as evenly, increasing array */

branches/mcxtrace-1.0/nlib/samples/Isotropic_Sqw.comp

r3256	r3277
807	807	}
808	808
809		/* the scattering unit cross sections are the chemical formula onces
	809	/* the scattering unit cross sections are the chemical formula ones
810	810	* times the nb of chemical formulae in the scattering element */
811	811	if (mat_at_nb > 0) {
…	…
844	844	return(Sqw_Data);
845	845	}
	846
	847	sprintf(Table_Array[0].filename, "%s#q", file);
	848	sprintf(Table_Array[1].filename, "%s#w", file);
	849	sprintf(Table_Array[2].filename, "%s#sqw", file);
846	850
847	851	/* restrict gridding range to q and omega min/max */