***** XSCALE ***** (VERSION Jun 1, 2017 BUILT=20170923) 8-Nov-2017 Author: Wolfgang Kabsch Copy licensed until 31-Mar-2018 to academic users for non-commercial applications No redistribution. ****************************************************************************** CONTROL CARDS ****************************************************************************** MAXIMUM_NUMBER_OF_PROCESSORS=4 SPACE_GROUP_NUMBER=89 UNIT_CELL_CONSTANTS= 74.29 74.29 110.37 90.00 90.00 90.00 MINIMUM_I/SIGMA=3.0 OUTPUT_FILE=NATIVE.HKL FRIEDEL'S_LAW=TRUE MERGE=FALSE INPUT_FILE=NATIVE_SWEEP1.HKL XDS_ASCII INCLUDE_RESOLUTION_RANGE= 49.79 1.51 CORRECTIONS= DECAY MODULATION ABSORPTION THE DATA COLLECTION STATISTICS REPORTED BELOW ASSUMES: SPACE_GROUP_NUMBER= 89 UNIT_CELL_CONSTANTS= 74.29 74.29 110.37 90.000 90.000 90.000 ***** 8 EQUIVALENT POSITIONS IN SPACE GROUP # 89 ***** If x',y',z' is an equivalent position to x,y,z, then x'=x*ML(1)+y*ML( 2)+z*ML( 3)+ML( 4)/12.0 y'=x*ML(5)+y*ML( 6)+z*ML( 7)+ML( 8)/12.0 z'=x*ML(9)+y*ML(10)+z*ML(11)+ML(12)/12.0 # 1 2 3 4 5 6 7 8 9 10 11 12 1 1 0 0 0 0 1 0 0 0 0 1 0 2 -1 0 0 0 0 -1 0 0 0 0 1 0 3 -1 0 0 0 0 1 0 0 0 0 -1 0 4 1 0 0 0 0 -1 0 0 0 0 -1 0 5 0 -1 0 0 -1 0 0 0 0 0 -1 0 6 0 1 0 0 1 0 0 0 0 0 -1 0 7 0 1 0 0 -1 0 0 0 0 0 1 0 8 0 -1 0 0 1 0 0 0 0 0 1 0 ALL DATA SETS WILL BE SCALED TO NATIVE_SWEEP1.HKL ****************************************************************************** READING INPUT REFLECTION DATA FILES ****************************************************************************** NUMBER OF UNIQUE REFLECTIONS IN FILE "REMOVE.HKL" 4985 DATA MEAN REFLECTIONS INPUT FILE NAME SET# INTENSITY ACCEPTED REJECTED 1 0.4003E+04 604937 183 NATIVE_SWEEP1.HKL ****************************************************************************** CORRECTION FACTORS AS FUNCTION OF IMAGE NUMBER & RESOLUTION ****************************************************************************** RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO OUTPUT FILE: NATIVE.HKL THE CALCULATIONS ASSUME FRIEDEL'S_LAW= TRUE TOTAL NUMBER OF CORRECTION FACTORS DEFINED 720 DEGREES OF FREEDOM OF CHI^2 FIT 247839.5 CHI^2-VALUE OF FIT OF CORRECTION FACTORS 1.132 NUMBER OF CYCLES CARRIED OUT 3 CORRECTION FACTORS for visual inspection by XDS-Viewer DECAY_001.cbf XMIN= 0.1 XMAX= 179.9 NXBIN= 36 YMIN= 0.00069 YMAX= 0.43857 NYBIN= 20 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS 274115 ****************************************************************************** CORRECTION FACTORS AS FUNCTION OF X (fast) & Y(slow) IN THE DETECTOR PLANE ****************************************************************************** RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO OUTPUT FILE: NATIVE.HKL THE CALCULATIONS ASSUME FRIEDEL'S_LAW= TRUE TOTAL NUMBER OF CORRECTION FACTORS DEFINED 5476 DEGREES OF FREEDOM OF CHI^2 FIT 247385.3 CHI^2-VALUE OF FIT OF CORRECTION FACTORS 1.127 NUMBER OF CYCLES CARRIED OUT 3 CORRECTION FACTORS for visual inspection by XDS-Viewer MODPIX_001.cbf XMIN= 132.4 XMAX= 2320.7 NXBIN= 74 YMIN= 151.6 YMAX= 2350.6 NYBIN= 74 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS 274115 ****************************************************************************** CORRECTION FACTORS AS FUNCTION OF IMAGE NUMBER & DETECTOR SURFACE POSITION ****************************************************************************** RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO OUTPUT FILE: NATIVE.HKL THE CALCULATIONS ASSUME FRIEDEL'S_LAW= TRUE TOTAL NUMBER OF CORRECTION FACTORS DEFINED 468 DEGREES OF FREEDOM OF CHI^2 FIT 247851.0 CHI^2-VALUE OF FIT OF CORRECTION FACTORS 1.116 NUMBER OF CYCLES CARRIED OUT 3 CORRECTION FACTORS for visual inspection by XDS-Viewer ABSORP_001.cbf XMIN= 0.1 XMAX= 179.9 NXBIN= 36 DETECTOR_SURFACE_POSITION= 1227 1251 DETECTOR_SURFACE_POSITION= 1598 1625 DETECTOR_SURFACE_POSITION= 855 1625 DETECTOR_SURFACE_POSITION= 855 878 DETECTOR_SURFACE_POSITION= 1598 878 DETECTOR_SURFACE_POSITION= 2068 1601 DETECTOR_SURFACE_POSITION= 1575 2096 DETECTOR_SURFACE_POSITION= 878 2096 DETECTOR_SURFACE_POSITION= 385 1601 DETECTOR_SURFACE_POSITION= 385 901 DETECTOR_SURFACE_POSITION= 878 406 DETECTOR_SURFACE_POSITION= 1575 406 DETECTOR_SURFACE_POSITION= 2068 901 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS 274115 ****************************************************************************** CORRECTION PARAMETERS FOR THE STANDARD ERROR OF REFLECTION INTENSITIES ****************************************************************************** The variance v0(I) of the intensity I obtained from counting statistics is replaced by v(I)=a*(v0(I)+b*I^2). The model parameters a, b are chosen to minimize the discrepancies between v(I) and the variance estimated from sample statistics of symmetry related reflections. This model implicates an asymptotic limit ISa=1/SQRT(a*b) for the highest I/Sigma(I) that the experimental setup can produce (Diederichs (2010) Acta Cryst D66, 733-740). Often the value of ISa is reduced from the initial value ISa0 due to systematic errors showing up by comparison with other data sets in the scaling procedure. (ISa=ISa0=-1 if v0 is unknown for a data set.) a b ISa ISa0 INPUT DATA SET 1.260E+00 3.385E-03 15.32 17.96 NATIVE_SWEEP1.HKL FACTOR TO PLACE ALL DATA SETS TO AN APPROXIMATE ABSOLUTE SCALE 0.107962E+02 (ASSUMING A PROTEIN WITH 50% SOLVENT) ****************************************************************************** STATISTICS OF SCALED OUTPUT DATA SET : NATIVE.HKL FILE TYPE: XDS_ASCII MERGE=FALSE FRIEDEL'S_LAW=TRUE 342 OUT OF 604937 REFLECTIONS REJECTED 604595 REFLECTIONS ON OUTPUT FILE ****************************************************************************** DEFINITIONS: R-FACTOR observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i))) expected = expected R-FACTOR derived from Sigma(I) COMPARED = number of reflections used for calculating R-FACTOR I/SIGMA = mean of intensity/Sigma(I) of unique reflections (after merging symmetry-related observations) Sigma(I) = standard deviation of reflection intensity I estimated from sample statistics R-meas = redundancy independent R-factor (intensities) Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275. CC(1/2) = percentage of correlation between intensities from random half-datasets. Correlation significant at the 0.1% level is marked by an asterisk. Karplus & Diederichs (2012), Science 336, 1030-33 Anomal = percentage of correlation between random half-sets Corr of anomalous intensity differences. Correlation significant at the 0.1% level is marked. SigAno = mean anomalous difference in units of its estimated standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-) are structure factor estimates obtained from the merged intensity observations in each parity class. Nano = Number of unique reflections used to calculate Anomal_Corr & SigAno. At least two observations for each (+ and -) parity are required. SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR COMPARED I/SIGMA R-meas CC(1/2) Anomal SigAno Nano LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected Corr 6.75 7585 664 673 98.7% 3.4% 5.0% 7582 49.43 3.5% 99.9* -46 0.396 385 4.78 11759 1093 1094 99.9% 3.4% 5.0% 11756 47.96 3.6% 99.9* -24 0.535 807 3.90 16331 1371 1371 100.0% 3.7% 5.0% 16331 50.46 3.9% 99.9* -28 0.561 1078 3.38 19149 1592 1593 99.9% 4.2% 5.0% 19149 49.28 4.3% 99.9* -24 0.634 1304 3.02 19538 1801 1801 100.0% 4.6% 5.1% 19538 44.79 4.8% 99.9* -13 0.742 1503 2.76 22895 1967 1967 100.0% 5.2% 5.2% 22893 43.21 5.5% 99.9* -12 0.816 1680 2.55 26094 2122 2122 100.0% 5.6% 5.5% 26093 40.21 5.9% 99.9* -10 0.819 1831 2.39 29447 2283 2283 100.0% 6.0% 5.9% 29447 37.93 6.3% 99.9* -7 0.824 1993 2.25 29929 2407 2409 99.9% 7.0% 6.6% 29929 32.31 7.3% 99.9* -11 0.804 2119 2.14 29325 2549 2550 100.0% 8.5% 7.7% 29325 26.99 8.9% 99.8* -9 0.836 2257 2.04 32181 2657 2660 99.9% 10.7% 9.6% 32180 22.84 11.2% 99.7* -8 0.834 2364 1.95 36051 2771 2773 99.9% 14.3% 13.7% 36049 17.72 14.8% 99.6* -5 0.775 2486 1.87 35470 2883 2898 99.5% 22.1% 19.1% 35470 13.30 23.1% 99.1* -6 0.863 2592 1.80 38562 3004 3004 100.0% 27.4% 29.6% 38562 9.37 28.5% 98.8* -5 0.683 2712 1.74 37272 3100 3102 99.9% 39.4% 44.7% 37272 6.39 41.2% 97.5* -5 0.660 2807 1.69 40186 3188 3189 100.0% 59.5% 66.4% 40186 4.52 62.0% 95.3* -1 0.697 2910 1.64 42701 3298 3303 99.8% 75.6% 91.1% 42700 3.35 78.7% 92.6* -3 0.624 3001 1.59 44528 3396 3397 100.0% 106.5% 123.0% 44527 2.50 110.8% 84.9* -7 0.640 3113 1.55 44343 3471 3471 100.0% 132.7% 160.9% 44343 1.91 138.2% 80.2* -2 0.613 3187 1.51 41249 3560 3569 99.7% 217.1% 238.8% 41249 1.24 227.2% 62.6* -2 0.622 3263 total 604595 49177 49229 99.9% 5.3% 6.2% 604581 19.48 5.5% 99.9* -6 0.713 43392 ========== STATISTICS OF INPUT DATA SET ========== R-FACTORS FOR INTENSITIES OF DATA SET NATIVE_SWEEP1.HKL RESOLUTION R-FACTOR R-FACTOR COMPARED LIMIT observed expected 6.75 3.4% 5.0% 7582 4.78 3.4% 5.0% 11756 3.90 3.7% 5.0% 16331 3.38 4.2% 5.0% 19149 3.02 4.6% 5.1% 19538 2.76 5.2% 5.2% 22893 2.55 5.6% 5.5% 26093 2.39 6.0% 5.9% 29447 2.25 7.0% 6.6% 29929 2.14 8.5% 7.7% 29325 2.04 10.7% 9.6% 32180 1.95 14.3% 13.7% 36049 1.87 22.1% 19.1% 35470 1.80 27.4% 29.6% 38562 1.74 39.4% 44.7% 37272 1.69 59.5% 66.4% 40186 1.64 75.6% 91.1% 42700 1.59 106.5% 123.0% 44527 1.55 132.7% 160.9% 44343 1.51 217.1% 238.8% 41249 total 5.3% 6.2% 604581 ****************************************************************************** WILSON STATISTICS OF SCALED DATA SET: NATIVE.HKL ****************************************************************************** Data is divided into resolution shells and a straight line A - 2*B*SS is fitted to log, where RES = mean resolution (Angstrom) in shell SS = mean of (sin(THETA)/LAMBDA)**2 in shell = mean reflection intensity in shell BO = (A - log)/(2*SS) # = number of reflections in resolution shell WILSON LINE (using all data) : A= 13.408 B= 36.452 CORRELATION= 1.00 # RES SS log() BO 746 8.484 0.003 3.6491E+05 12.807 86.4 1177 5.283 0.009 2.7032E+05 12.507 50.3 1490 4.130 0.015 3.4151E+05 12.741 22.7 1729 3.499 0.020 2.1711E+05 12.288 27.4 1924 3.092 0.026 1.0818E+05 11.592 34.7 2125 2.800 0.032 5.7972E+04 10.968 38.2 2298 2.576 0.038 3.8733E+04 10.564 37.7 2446 2.399 0.043 2.6651E+04 10.191 37.0 2577 2.255 0.049 2.0188E+04 9.913 35.5 2736 2.134 0.055 1.3988E+04 9.546 35.2 2885 2.030 0.061 8.8912E+03 9.093 35.6 2975 1.940 0.066 5.3976E+03 8.594 36.2 3120 1.861 0.072 3.1590E+03 8.058 37.0 3233 1.790 0.078 1.8658E+03 7.531 37.7 3337 1.728 0.084 1.2099E+03 7.098 37.7 3440 1.671 0.089 8.1045E+02 6.698 37.5 3558 1.620 0.095 6.1424E+02 6.420 36.7 3660 1.573 0.101 4.6053E+02 6.132 36.0 3721 1.530 0.107 3.5473E+02 5.871 35.3 HIGHER ORDER MOMENTS OF WILSON DISTRIBUTION OF CENTRIC DATA AS COMPARED WITH THEORETICAL VALUES. (EXPECTED: 1.00) # RES / / / 3**2 15**3 105**4 304 8.484 0.886 0.780 0.626 300 5.283 1.204 1.758 2.741 303 4.130 0.817 0.725 0.586 304 3.499 1.233 1.466 1.609 304 3.092 1.042 0.970 0.808 303 2.800 1.198 2.038 4.135 306 2.576 0.779 0.698 0.590 300 2.399 1.347 2.469 5.113 297 2.255 1.157 1.335 1.385 306 2.134 1.111 1.131 1.048 308 2.030 1.076 1.316 1.473 304 1.940 1.358 2.091 3.351 295 1.861 1.122 1.103 0.994 310 1.790 1.093 1.113 1.004 293 1.728 1.581 4.951 16.811 308 1.671 1.612 2.558 3.735 305 1.620 0.919 1.003 1.209 300 1.573 1.329 1.561 1.856 307 1.530 1.600 1.270 1.067 5757 overall 1.182 1.590 2.611 HIGHER ORDER MOMENTS OF WILSON DISTRIBUTION OF ACENTRIC DATA AS COMPARED WITH THEORETICAL VALUES. (EXPECTED: 1.00) # RES / / / 2**2 6**3 24**4 442 8.484 1.144 1.308 1.463 877 5.283 0.978 0.945 0.862 1187 4.130 1.085 1.193 1.340 1425 3.499 0.959 0.943 0.940 1620 3.092 1.031 1.245 1.772 1822 2.800 1.063 1.218 1.475 1992 2.576 1.098 1.203 1.288 2146 2.399 1.078 1.208 1.330 2280 2.255 1.142 1.360 1.624 2430 2.134 1.130 1.425 1.990 2577 2.030 1.164 1.406 1.678 2671 1.940 1.140 1.449 1.972 2825 1.861 1.162 1.424 1.793 2923 1.790 1.198 1.519 2.005 3044 1.728 1.265 1.715 2.442 3132 1.671 1.274 1.720 2.443 3253 1.620 1.341 1.785 2.511 3360 1.573 1.490 2.019 2.753 3414 1.530 2.061 2.936 4.411 43420 overall 1.256 1.592 2.117 ======= CUMULATIVE INTENSITY DISTRIBUTION ======= DEFINITIONS: = mean reflection intensity Na(Z)exp = expected number of acentric reflections with I <= Z* Na(Z)obs = observed number of acentric reflections with I <= Z* Nc(Z)exp = expected number of centric reflections with I <= Z* Nc(Z)obs = observed number of centric reflections with I <= Z* Nc(Z)obs/Nc(Z)exp versus resolution and Z (0.1-1.0) # RES 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 304 8.484 1.01 1.00 0.99 1.04 1.04 1.01 1.03 1.03 1.03 1.02 300 5.283 0.86 0.88 0.94 0.97 0.99 0.99 0.97 0.97 0.97 0.96 303 4.130 1.06 1.03 1.05 1.05 1.05 1.03 1.04 1.05 1.04 1.05 304 3.499 0.99 1.08 1.07 1.04 1.03 1.01 1.00 0.98 0.98 0.98 304 3.092 1.05 1.06 1.00 0.92 0.94 0.93 0.95 0.96 0.99 0.97 303 2.800 0.98 0.98 0.99 0.97 0.98 0.98 1.03 1.02 1.03 1.04 306 2.576 1.00 0.94 1.00 1.06 1.07 1.07 1.04 1.06 1.07 1.06 300 2.399 1.07 1.09 1.05 1.01 1.03 1.00 1.01 0.99 0.99 0.97 297 2.255 1.19 1.17 1.14 1.09 1.05 1.04 1.05 1.03 1.04 1.06 306 2.134 1.11 0.99 1.03 1.04 1.04 1.02 1.03 1.03 1.02 1.03 308 2.030 1.20 1.13 1.19 1.15 1.15 1.15 1.13 1.09 1.12 1.09 304 1.940 1.19 1.16 1.12 1.06 1.07 1.01 1.02 1.02 1.02 1.01 295 1.861 1.06 1.03 1.00 1.04 1.02 0.98 0.99 1.01 1.01 1.03 310 1.790 1.05 0.93 0.90 0.93 0.94 0.98 0.99 1.03 1.04 1.06 293 1.728 1.25 1.15 1.09 1.04 1.05 1.05 1.08 1.07 1.07 1.08 308 1.671 1.26 1.10 1.06 1.06 1.04 1.04 1.07 1.07 1.07 1.06 305 1.620 1.19 1.00 0.93 0.92 0.97 0.99 1.00 1.02 1.01 1.04 300 1.573 1.29 1.13 1.02 0.98 0.94 0.94 0.95 0.99 0.99 1.00 307 1.530 1.52 1.15 1.04 1.00 0.94 0.92 0.91 0.90 0.89 0.91 5757 overall 1.12 1.05 1.03 1.02 1.02 1.01 1.02 1.02 1.02 1.02 Na(Z)obs/Na(Z)exp versus resolution and Z (0.1-1.0) # RES 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 442 8.484 1.00 0.94 0.99 0.95 0.93 0.98 1.00 1.04 1.05 1.04 877 5.283 0.89 1.06 1.05 1.02 1.03 1.03 1.03 1.02 1.03 1.02 1187 4.130 0.75 0.92 0.94 0.98 1.00 1.00 1.02 1.02 1.02 1.02 1425 3.499 0.83 0.93 0.95 0.95 0.99 1.01 0.99 0.99 0.99 1.02 1620 3.092 1.07 0.96 0.95 0.94 0.98 0.98 0.99 0.99 0.99 1.00 1822 2.800 0.90 1.01 1.06 1.06 1.04 1.03 1.01 1.02 1.01 1.02 1992 2.576 1.09 1.07 1.05 1.04 1.04 1.02 1.03 1.03 1.02 1.01 2146 2.399 1.16 1.07 1.05 1.06 1.06 1.05 1.05 1.04 1.03 1.03 2280 2.255 1.35 1.24 1.19 1.14 1.09 1.08 1.07 1.05 1.04 1.04 2430 2.134 1.21 1.13 1.13 1.11 1.10 1.07 1.06 1.05 1.04 1.03 2577 2.030 1.17 1.16 1.12 1.10 1.08 1.06 1.05 1.04 1.04 1.04 2671 1.940 1.24 1.13 1.08 1.07 1.05 1.06 1.05 1.05 1.04 1.03 2825 1.861 1.51 1.23 1.16 1.14 1.10 1.08 1.07 1.07 1.06 1.05 2923 1.790 1.59 1.29 1.19 1.15 1.11 1.07 1.06 1.05 1.05 1.03 3044 1.728 1.71 1.28 1.16 1.11 1.08 1.07 1.04 1.04 1.02 1.02 3132 1.671 1.91 1.35 1.20 1.11 1.08 1.06 1.06 1.03 1.02 1.02 3253 1.620 2.11 1.38 1.18 1.09 1.05 1.03 1.03 1.01 1.00 1.00 3360 1.573 2.51 1.54 1.27 1.15 1.09 1.05 1.03 1.00 1.00 0.99 3414 1.530 3.45 1.96 1.49 1.27 1.14 1.06 1.01 0.97 0.94 0.92 43420 overall 1.63 1.26 1.15 1.10 1.07 1.05 1.04 1.03 1.02 1.01 List of 18 reflections *NOT* obeying Wilson distribution (Z> 10.0) h k l RES Z Intensity Sigma 45 4 6 1.64 13.07 0.8026E+04 0.2912E+03 "alien" 31 14 6 2.17 12.97 0.1814E+06 0.3086E+04 "alien" 33 24 4 1.82 12.20 0.2275E+05 0.5268E+03 "alien" 17 14 9 3.25 12.01 0.1299E+07 0.2270E+05 "alien" 33 27 0 1.74 11.77 0.3218E+05 0.8417E+03 "alien" 32 19 18 1.90 11.48 0.3627E+05 0.8388E+03 "alien" 36 26 4 1.67 11.48 0.9305E+04 0.3073E+03 "alien" 34 7 36 1.75 11.41 0.1380E+05 0.4158E+03 "alien" 45 3 2 1.65 11.25 0.9115E+04 0.3025E+03 "alien" 40 26 7 1.55 11.07 0.3927E+04 0.3363E+03 "alien" 45 9 16 1.58 10.76 0.4955E+04 0.3176E+03 "alien" 29 14 29 1.97 10.67 0.5758E+05 0.1075E+04 "alien" 38 5 2 1.94 10.46 0.5644E+05 0.1127E+04 "alien" 35 25 4 1.72 10.39 0.1257E+05 0.3295E+03 "alien" 37 18 15 1.75 10.33 0.1250E+05 0.3781E+03 "alien" 24 7 9 2.89 10.08 0.5841E+06 0.1062E+05 "alien" 46 6 21 1.53 10.03 0.3557E+04 0.3573E+03 "alien" 33 18 2 1.98 10.02 0.5408E+05 0.9637E+03 "alien" List of 18 reflections *NOT* obeying Wilson distribution (sorted by resolution) Ice rings could occur at (Angstrom): 3.897,3.669,3.441, 2.671,2.249,2.072, 1.948,1.918,1.883,1.721 h k l RES Z Intensity Sigma 46 6 21 1.53 10.03 0.3557E+04 0.3573E+03 40 26 7 1.55 11.07 0.3927E+04 0.3363E+03 45 9 16 1.58 10.76 0.4955E+04 0.3176E+03 45 4 6 1.64 13.07 0.8026E+04 0.2912E+03 45 3 2 1.65 11.25 0.9115E+04 0.3025E+03 36 26 4 1.67 11.48 0.9305E+04 0.3073E+03 35 25 4 1.72 10.39 0.1257E+05 0.3295E+03 33 27 0 1.74 11.77 0.3218E+05 0.8417E+03 37 18 15 1.75 10.33 0.1250E+05 0.3781E+03 34 7 36 1.75 11.41 0.1380E+05 0.4158E+03 33 24 4 1.82 12.20 0.2275E+05 0.5268E+03 32 19 18 1.90 11.48 0.3627E+05 0.8388E+03 38 5 2 1.94 10.46 0.5644E+05 0.1127E+04 29 14 29 1.97 10.67 0.5758E+05 0.1075E+04 33 18 2 1.98 10.02 0.5408E+05 0.9637E+03 31 14 6 2.17 12.97 0.1814E+06 0.3086E+04 24 7 9 2.89 10.08 0.5841E+06 0.1062E+05 17 14 9 3.25 12.01 0.1299E+07 0.2270E+05 cpu time used by XSCALE 19.3 sec elapsed wall-clock time 14.1 sec