Last modified : 2006-7-28
Table 1. Data statistics depending on the window size of the collimating slit at BL-17A.
  At the BL-17A, small slit size like 10, 20 or 40 um is available.
  However, we now have beam-unstability problem, so that data statistics with 10 or 20 slit size looks worse.
  We will improve the problem soon.
Crsytal information
Space group P3221  
Cell(A) a=b=66.6, c=92.0  
Crystal size (um) 100 x 100 x 250  
Measurement order 1 2 3 4 5
Beam size (um) 40 20 100 200 10
Exposure time (sec) 10 35 2.5 1 60
Resolution (A) 50.00 - 1.63 50.00 - 1.68 50.00 - 1.62 50.00 - 1.62 50.00 - 1.80
  (1.69 - 1.68) (1.74 - 1.68) (1.68 - 1.62) (1.68 - 1.62) (1.86 - 1.80)
Mosaicity 0.253 0.318 0.274 0.283 0.311
Observed reflections 305137 288603 319739 320270 236211
Unique reflections 30087 27560 30670 30685 22541
Rejects in scaling 311 (0.10 %) 814 (0.28 %) 387 (0.12 %) 325 (0.10 %) 389 (0.16 %)
Completeness (%) 99.9 (100) 99.9 (100) 99.8 (100) 99.9(100) 100 (100)
redundancy 10.2 10.5 10.4 10.5 10.5
R-merge 0.049 (0.328) 0.065 (0.359) 0.046 (0.290) 0.048 (0.330) 0.069 (0.345)
I / sigma 14.0 11.7 15.7 15.7 11.1
*Measurement conditions are 1.0 degrees oscillation and 180 total oscillation range, at the wavelength of 1.0 .
Table 2. Comparison between the BL-17A and the other 2 ID beam lines.
  These results show that in the case of data collection with 100 um slit size at the wavelength of 1.0000 A, the exposure time
   of the BL-17A is same or shorter than the NW12A or BL-5A.
  Particulally, at the wavelength of 1.8 A, the BL-17A has good advantage compared with the other two beam lines.
Crsytal information
Space group P212121  
Cell(A) a=35.3, b=68.1, c=220.4
Crystal size (um) 30 x 30 x 20 or 100 x 100 x 50
Crystal 1
  BL-17A BL-5A NW12A
Experimental order 1 2 3
Crystal size (um) 30
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 150
Wavelength (A) 1.0000
Slit size (um) 100 200 200
Exposure time (sec) 2 7 4
Data collection time (min) 72 64 34
Resolution (A) 50.00 - 1.80 50.0 - 2.10 50.00 - 2.20
outer shell (A) (1.86 - 1.80) (2.18 - 2.10) (2.28 - 2.20)
Mosaicity 0.292 0.315 0.427
Total reflections 285861 206084 170890
Independent reflections 50501 32262 28010
Rejected reflections 413 451 2068
Completeness (%) 97.6 (87.8) 99.6 (99.0) 99.1 (97.1)
R-merge 0.057 (0.391) 0.081 (0.347) 0.068 (0.353)
I / sigma 10.2 8.2 11.4
Redundancy 5.8 6.4 6.2
Crystal 2
  BL-17A BL-5A
Experimental order 2 1
Crystal size (um) 30
Oscillation range (°ドシ) 120.5 180
Oscillation angle (°) 0.5
Camera length (mm) 150
Wavelength (A) 1.0000
Slit size (um) 100 200
Exposure time (sec) 3 7
Data collection time (min) 52 53
Resolution (A) 50.00 - 1.80 50.0 - 1.90
outer shell (A) (1.86 -  1.80) (1.97 - 1.90)
Mosaicity 0.336 0.393
Total reflections 184470 229567
Independent reflections 50927 43042
Rejected reflections 185 671
Completeness (%) 91.4 (76.1) 97.8 (93.8)
R-merge 0.059 (0.549) 0.081 (0.331)
I / sigma 10.4 8.5
Redundancy 4.0 5.5
Crystal 101
  BL-17A BL-5A NW12A
Experimental order 1 3 2
Crystal size (um) 100
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 150
Wavelength (A) 1.0000
Slit size (um) 100 200 200
Exposure time (sec) 1 4 1
Data collection time (min) 67 35 16
Resolution (A) 50.00 - 1.80 50.0 - 1.80 50.00 - 1.80
outer shell (A) (1.86 - 1.80) (1.86 - 1.80) (1.86 - 1.80)
Mosaicity 0.226 0.291 0.241
Total reflections 323657 311484 339588
Independent reflections 50721 50911 50659
Rejected reflections 446 327 348
Completeness (%) 99.8 (99.3) 99.5 (98.6) 99.8 (99.0)
R-merge 0.037 (0.152) 0.047 (0.301) 0.044 (0.195)
I / sigma 16.4 11.6 15.5
Redundancy 6.5 6.2 6.7
Crystal 102
  BL-17A BL-5A NW12A
Experimental order 3 2 1
Crystal size (um) 100
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 150
Wavelength (A) 1.0000
Slit size (um) 40* 200 200
Exposure time (sec) 4 4 1
Data collection time (min) 84 34 16
Resolution (A) 50.00 - 1.80 50.0 - 1.80 50.00 - 1.80
outer shell (A) (1.86 - 1.80) (1.86 - 1.80) (1.86 - 1.80)
Mosaicity 0.185 0.261 0.227
Total reflections 323966 340666 326165
Independent reflections 51286 51196 50802
Rejected reflections 456 4243 3828
Completeness (%) 99.2 (97.4) 99.4 (98.1) 99.5 (97.5)
R-merge 0.059 (0.312) 0.092 (0.445) 0.099 (0.281)
I / sigma 11.0 6.1 8.1
Redundancy 6.4 6.7 6.4
*Beam size was limited because the crystal was cracked
Crystal 103
  BL-17A BL-5A NW12A
Experimental order 2 1 3
Crystal size (um) 100
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 150
Wavelength (A) 1.0000
Slit size (um) 100 200 200
Exposure time (sec) 2 2 1
Data collection time (min) 72 23 16
Resolution (A) 50.00 - 1.80 50.0 - 1.80 50.00 - 1.80
outer shell (A) (1.86 - 1.80) (1.86 - 1.80) (1.86 - 1.80)
Mosaicity 0.466 0.420 0.465
Total reflections 284919 249663 331870
Independent reflections 50756 50632 50708
Rejected reflections 909 146 742
Completeness (%) 98.2 (94.6) 95.1 (88.2) 99.7 (99.0)
R-merge 0.039 (0.156) 0.057 (0.287) 0.060 (0.311)
I / sigma 15.6 10.5 11.8
Redundancy 5.7 5.2 6.6
Crystal 101-Lowenergy
  BL-17A NW12A
Experimental order 1 2
Crystal size (um) 100
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 55
Wavelength (A) 1.8000
Slit size (um) 40 200
Exposure time (sec) 3 5
Data collection time (min) 78 40
Resolution (A) 50.00 - 2.00 50.00 - 2.00
outer shell (A) (2.07 - 2.00) (2.07 - 2.00)
Mosaicity 0.331 0.307
Total reflections 216610 233862
Independent reflections 37581 37403
Rejected reflections 486 416
Completeness (%) 98.6 (96.7) 99.5 (99.0)
R-merge 0.052 (0.257) 0.055 (0.394)
I / sigma 12.3 11.3
Redundancy 5.8 6.3
Crystal 103-Lowenergy
  BL-17A NW12A
Experimental order 2 1
Crystal size (um) 100
Oscillation range (°ドシ) 180
Oscillation angle (°) 0.5
Camera length (mm) 55
Wavelength (A) 1.8000
Slit size (um) 100 200
Exposure time (sec) 0.5 4
Data collection time (min) 65 34
Resolution (A) 50.00 - 2.00 50.00 - 2.00
outer shell (A) (2.07 - 2.00) (2.07 - 2.00)
Mosaicity 0.483 0.535
Total reflections 226596 221497
Independent reflections 37491 37224
Rejected reflections 393 318
Completeness (%) 98.4 (96.6) 98.0 (95.5)
R-merge 0.072 (0.237) 0.046 (0.232)
I / sigma 10.9 14.6
Redundancy 6.1 6.1