SAINT V8.42 C:\bn\SAINT\saint.exe 11e3on_a.slm /BATCH /CONFIG:11e3on_a.ini /NOPROMPT /PLAIN & /PRIORITY:4 /SOCKET:2000 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 265 Total topped/rescanned pixels: 2307 Minimum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Maximum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Total spots predicted: 144504 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 16752* Outside frame limits: 2176* Spots exceeding frame queue size: 194* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 199* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 1* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 124750 Total spot components written: 124750 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 124750 Twin overlaps written: 0 Average Intensity: 149893.5 Average I/sigma: 41.646 % over "strong" threshold: 65.02 % less than 2 sigma: 9.69 % which spanned more than 1 frame: 83.23 Average X,Y,Z positional errors: 0.00 -0.01 -0.02 RMS X,Y,Z positional errors: 0.39 0.24 0.19 % X,Y,Z more than 0.5 pixel: 6.75 3.21 1.74 % X,Y,Z more than 1.0 pixel: 2.22 0.86 0.24 Avg % profile volume populated: 95.37 Avg % profile volume integrated: 17.91 Avg % profile missing I: 4.44 Avg % profile missing volume: 4.63 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 7.76 9.05 38.29 Average spot-shape correlation: 0.750 RMS spot-shape correlation: 0.783 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.195 0.165 6463 1.0 2.0 0.368 0.149 5624 2.0 4.0 0.582 0.143 9128 4.0 8.0 0.764 0.112 15051 8.0 16.0 0.834 0.098 22641 16.0 32.0 0.849 0.094 29553 32.0 64.0 0.853 0.096 24559 64.0 128.0 0.855 0.102 9577 128.0 256.0 0.861 0.101 2154 Write-behind Cache Diagnostics Entered in Write-Behind Cache: 0 Removed from WBC: 0 Partial overlaps from WBC: 0 Exceeding queue size from WBC: 0 With > 12 components from WBC: 0 Global Sums for Filtering Based on Spot Shape Number of spots read: 124750 LS-fit intensities scaled: 37945 Full overlaps included in above: 0 Rejected due to poor spot shape: 516 Unwritable (I, sigma too large): 0 Number written: 124234 Sorting Reflection File ============================== 04/30/2026 15:08:49 Integration of rudi006 Merging input files 1 X:\rudi006\work\rudi006_01.raw 2 X:\rudi006\work\rudi006_01A.raw 3 X:\rudi006\work\rudi006_02.raw 4 X:\rudi006\work\rudi006_03.raw 5 X:\rudi006\work\rudi006_04.raw 6 X:\rudi006\work\rudi006_05.raw 7 X:\rudi006\work\rudi006_06.raw 8 X:\rudi006\work\rudi006_07.raw 9 X:\rudi006\work\rudi006_08.raw 10 X:\rudi006\work\rudi006_09.raw 11 X:\rudi006\work\rudi006_10.raw 12 X:\rudi006\work\rudi006_11.raw 13 X:\rudi006\work\rudi006_12.raw 14 X:\rudi006\work\rudi006_13.raw 15 X:\rudi006\work\rudi006_14.raw 16 X:\rudi006\work\rudi006_15.raw 17 X:\rudi006\work\rudi006_16.raw 18 X:\rudi006\work\rudi006_17.raw 19 X:\rudi006\work\rudi006_18.raw 20 X:\rudi006\work\rudi006_19.raw 21 X:\rudi006\work\rudi006_20.raw 22 X:\rudi006\work\rudi006_21.raw 23 X:\rudi006\work\rudi006_22.raw 24 X:\rudi006\work\rudi006_23.raw 25 X:\rudi006\work\rudi006_24.raw 26 X:\rudi006\work\rudi006_25.raw 27 X:\rudi006\work\rudi006_26.raw 28 X:\rudi006\work\rudi006_27.raw 29 X:\rudi006\work\rudi006_28.raw Merging to output file: X:\rudi006\work\rudi006_0m.raw 3411 spot components in 3411 spots read from file 1--X:\rudi006\work\rudi006_01.raw 3465 spot components in 3465 spots read from file 2--X:\rudi006\work\rudi006_01A.raw 11212 spot components in 11212 spots read from file 3--X:\rudi006\work\rudi006_02.raw 3452 spot components in 3452 spots read from file 4--X:\rudi006\work\rudi006_03.raw 3401 spot components in 3401 spots read from file 5--X:\rudi006\work\rudi006_04.raw 3424 spot components in 3424 spots read from file 6--X:\rudi006\work\rudi006_05.raw 3463 spot components in 3463 spots read from file 7--X:\rudi006\work\rudi006_06.raw 3485 spot components in 3485 spots read from file 8--X:\rudi006\work\rudi006_07.raw 9469 spot components in 9469 spots read from file 9--X:\rudi006\work\rudi006_08.raw 8439 spot components in 8439 spots read from file 10--X:\rudi006\work\rudi006_09.raw 2642 spot components in 2642 spots read from file 11--X:\rudi006\work\rudi006_10.raw 8262 spot components in 8262 spots read from file 12--X:\rudi006\work\rudi006_11.raw 11181 spot components in 11181 spots read from file 13--X:\rudi006\work\rudi006_12.raw 2600 spot components in 2600 spots read from file 14--X:\rudi006\work\rudi006_13.raw 2668 spot components in 2668 spots read from file 15--X:\rudi006\work\rudi006_14.raw 2678 spot components in 2678 spots read from file 16--X:\rudi006\work\rudi006_15.raw 2588 spot components in 2588 spots read from file 17--X:\rudi006\work\rudi006_16.raw 9926 spot components in 9926 spots read from file 18--X:\rudi006\work\rudi006_17.raw 2662 spot components in 2662 spots read from file 19--X:\rudi006\work\rudi006_18.raw 2649 spot components in 2649 spots read from file 20--X:\rudi006\work\rudi006_19.raw 2589 spot components in 2589 spots read from file 21--X:\rudi006\work\rudi006_20.raw 2653 spot components in 2653 spots read from file 22--X:\rudi006\work\rudi006_21.raw 2502 spot components in 2502 spots read from file 23--X:\rudi006\work\rudi006_22.raw 2648 spot components in 2648 spots read from file 24--X:\rudi006\work\rudi006_23.raw 2337 spot components in 2337 spots read from file 25--X:\rudi006\work\rudi006_24.raw 2648 spot components in 2648 spots read from file 26--X:\rudi006\work\rudi006_25.raw 2625 spot components in 2625 spots read from file 27--X:\rudi006\work\rudi006_26.raw 2545 spot components in 2545 spots read from file 28--X:\rudi006\work\rudi006_27.raw 2610 spot components in 2610 spots read from file 29--X:\rudi006\work\rudi006_28.raw 124234 spot components in 124234 spots written to file X:\rudi006\work\rudi006_0m.raw Computing Reflection File Statistics ========== 04/30/2026 15:08:55 Integration of rudi006 ................................................................................... Statistics for reflections in rudi006_0m.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 124234 Number of reflection records read = 124234 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 124234 Number of spot components used = 124234 ................................................................................... Integration of rudi006 Statistics for sample 1 of 1 in rudi006_0m.raw Lattice: P (Primitive) Point group "-1", #1 (internal number) 2 symmetry operators 1 0 0 -1 0 0 0 1 0 0-1 0 0 0 1 0 0-1 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents. Components in the sample map (* marks current component) Component Wanted A B C Alpha Beta Gamma PointGp Constraints 1.1(1)* Y 15.435 15.916 16.420 105.963 114.946 105.655 -1 Triclinic Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1672 966 1051 1672 20.5 188271.24 35.52 10.49 0.222 0.021 6.1 0.181 0.283 0.95 .99-.05 .01 2.0 .80 .46 32.000 2763 1422 1517 2763 18.1 175156.81 38.59 10.50 0.230 -0.026 7.0 0.190 0.303 0.98 .07-.03 .01 .75 .42 .30 64.000 4062 1845 1933 4062 15.5 147863.19 36.21 10.52 0.240 -0.018 6.9 0.200 0.288 0.93 .06-.02 .01 .55 .38 .29 96.000 5889 2293 2395 5889 14.0 142904.49 36.13 10.55 0.247 -0.007 6.7 0.198 0.301 1.01 .00-.01 .01 .37 .26 .26 128.000 8737 2683 2787 8737 12.4 146854.02 37.75 10.65 0.243 0.011 6.6 0.194 0.302 1.00 .00-.01 .00 .26 .23 .21 160.000 12421 3349 3442 12421 9.8 149042.09 38.51 10.63 0.261 -0.001 7.1 0.205 0.320 1.06 .01-.01-.00 .17 .20 .16 192.000 16811 4013 4091 16811 7.4 144114.70 37.82 10.62 0.254 0.003 7.0 0.205 0.314 1.02 .04-.01-.01 .13 .19 .14 224.000 18652 3431 3518 18652 6.8 144371.00 38.50 10.58 0.267 0.002 7.4 0.218 0.351 1.03 .07-.01-.02 .13 .15 .14 256.000 17755 5261 5396 17755 7.5 154880.88 43.35 10.67 0.278 0.000 8.6 0.226 0.335 1.11-.08-.01-.03 .14 .15 .14 288.000 13812 5123 5293 13812 7.9 159427.13 49.81 10.70 0.277 0.016 9.7 0.237 0.295 0.99-.06-.02-.04 .15 .15 .16 320.000 8983 3828 4085 8967 9.0 182793.86 58.54 10.66 0.286 0.001 11.7 0.255 0.293 0.96-.03-.01-.04 .21 .19 .19 352.000 5638 2774 3197 5524 10.5 142281.40 51.97 10.56 0.273 -0.008 10.6 0.262 0.273 0.91-.04-.02-.05 .32 .24 .24 384.000 3316 1835 2264 3155 14.1 122404.58 45.47 10.55 0.248 -0.015 9.3 0.255 0.282 0.92-.06-.02-.05 .48 .27 .26 416.000 2032 1127 1523 1822 15.8 90837.243 33.65 10.49 0.260 -0.043 7.9 0.261 0.266 0.85-.15-.02-.04 .75 .41 .29 448.000 1197 684 994 1022 22.6 74468.035 23.95 10.46 0.352 -0.146 16.0 0.373 0.352 0.94-.16-.02-.03 1.0 .52 .27 480.000 494 332 429 446 21.9 93410.195 21.25 10.51 0.339 -0.138 11.0 0.364 0.331 0.95-.72-.11-.02 1.7 .69 .29 512.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4219 3299 3318 4214 14.0 127511.24 31.73 10.45 0.268 -0.008 6.5 0.240 0.311 1.10 .04 .13-.03 .60 .53 .21 32.000 7131 4886 4939 7106 11.9 142849.84 37.88 10.53 0.254 0.030 6.9 0.224 0.287 1.05 .01-.00-.03 .50 .27 .17 64.000 10776 6124 6220 10737 10.4 152911.07 41.89 10.55 0.254 0.039 7.8 0.222 0.289 1.05 .01-.02-.02 .42 .18 .16 96.000 15323 6919 7132 15242 9.5 161024.49 44.32 10.60 0.246 0.039 8.0 0.215 0.306 1.07 .02-.02-.02 .35 .12 .16 128.000 19066 8063 8457 18940 8.9 161728.83 44.58 10.63 0.255 0.037 8.2 0.221 0.306 1.07 .01-.02-.01 .32 .10 .19 160.000 20091 7904 8646 19917 8.4 156915.21 43.66 10.67 0.272 0.013 8.7 0.228 0.317 1.08 .00-.01-.02 .27 .09 .20 192.000 17429 7591 8336 17289 8.4 154040.84 43.38 10.62 0.274 -0.006 8.7 0.218 0.310 1.05 .00 .01-.02 .31 .13 .20 224.000 13102 6541 7198 13013 9.5 144643.08 41.42 10.64 0.267 -0.037 8.2 0.208 0.321 1.07-.02 .01-.02 .37 .19 .19 256.000 9020 5210 5648 8995 10.7 131901.15 37.89 10.62 0.276 -0.100 8.9 0.220 0.333 1.06-.02-.01-.02 .42 .26 .19 288.000 5962 3941 4241 5945 12.6 114950.95 32.39 10.63 0.297 -0.133 8.2 0.232 0.366 1.16-.01-.06-.03 .49 .39 .20 320.000 2115 1655 1755 2112 13.3 118109.04 29.97 10.77 0.312 -0.164 7.8 0.231 0.360 1.15-.03-.47-.05 .84 1.0 .32 352.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 384.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 416.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 448.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 480.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 512.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4349 2571 2720 4349 6.9 134271.16 38.34 10.60 0.274 -0.076 7.4 0.204 0.360 1.21-.03 .03-.03 .13 .14 .13 30.000 12812 5297 5554 12812 7.3 140468.52 40.27 10.61 0.283 -0.046 8.2 0.215 0.337 1.12-.02 .02-.03 .13 .13 .13 60.000 19434 7094 7465 19434 7.7 149346.95 41.68 10.68 0.279 -0.019 8.6 0.219 0.321 1.08-.01-.01-.02 .15 .21 .15 90.000 21511 7985 8448 21487 8.1 159887.31 44.63 10.69 0.276 -0.000 9.1 0.232 0.318 1.07 .00-.02-.02 .18 .20 .18 120.000 20287 7843 8372 20186 9.1 153380.43 43.72 10.65 0.261 0.016 8.4 0.227 0.314 1.07 .00-.03-.02 .23 .18 .20 150.000 16430 7406 7890 16292 10.3 154595.71 43.44 10.59 0.248 0.033 7.9 0.212 0.296 1.06 .01-.03-.02 .28 .19 .20 180.000 12480 6709 7193 12284 11.7 142827.91 40.22 10.55 0.241 0.024 7.1 0.215 0.294 1.06-.00-.04-.01 .39 .23 .22 210.000 9206 5624 6002 9040 14.0 147629.08 38.62 10.51 0.254 0.017 8.3 0.224 0.293 1.02-.00-.03-.02 .54 .30 .24 240.000 5237 3727 3892 5181 15.6 147115.97 35.59 10.47 0.252 -0.007 7.1 0.221 0.299 1.03 .13-.01-.02 .97 .49 .28 270.000 2488 1873 1975 2445 20.3 130081.26 28.51 10.46 0.250 -0.029 6.5 0.220 0.298 1.02 .24 .19-.01 1.4 .68 .27 300.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 9824 5519 5823 9824 11.2 124456.99 32.79 10.64 0.277 -0.118 6.9 0.213 0.334 1.09 .08-.09-.01 .50 .49 .22 2.000 7267 4259 4737 7222 12.3 123970.29 38.20 10.64 0.301 -0.119 10.6 0.243 0.348 1.10-.15-.07-.05 .53 .45 .20 3.000 61189 9328 9803 61189 9.8 151479.16 38.61 10.59 0.251 0.016 7.0 0.204 0.356 1.08 .06 .00-.01 .39 .19 .19 4.000 45954 9782 11504 45275 8.9 157119.02 48.84 10.64 0.275 0.015 9.7 0.243 0.301 1.05-.06-.01-.03 .31 .15 .18 5.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 59461 9073 9559 59451 7.1 159641.72 44.08 10.66 0.271 0.014 8.6 0.225 0.346 1.07 .00-.01-.02 .13 .09 .14 2.000 6426 2593 3675 5859 13.2 99804.541 38.16 10.55 0.245 0.022 8.7 0.251 0.288 1.08-.07-.02-.05 .61 .16 .28 3.000 6690 3401 3967 6615 12.9 137017.44 44.88 10.63 0.292 -0.077 12.0 0.251 0.323 1.03-.11-.06-.05 .55 .41 .21 4.000 5805 3226 3384 5805 9.1 122499.83 35.18 10.63 0.281 -0.110 7.6 0.207 0.373 1.18-.05-.05-.04 .19 .40 .18 5.000 9979 5495 5828 9979 11.8 134113.40 34.73 10.67 0.273 -0.094 7.2 0.209 0.312 1.05 .06-.06 .00 .47 .42 .23 6.000 12165 4997 5328 12165 13.9 166949.07 40.90 10.57 0.237 0.015 7.0 0.191 0.301 1.02 .09-.00 .01 .71 .24 .30 7.000 10709 5684 5698 10709 13.4 143083.58 34.46 10.52 0.233 0.051 6.1 0.196 0.290 1.10 .07 .01-.01 .52 .32 .17 8.000 6218 3796 3796 6218 9.9 138020.44 37.55 10.54 0.264 0.034 6.8 0.231 0.307 1.13 .01 .00-.03 .17 .23 .17 9.000 6781 3622 3810 6709 10.7 160943.62 53.29 10.51 0.272 -0.011 10.0 0.261 0.279 0.94-.07 .01-.03 .43 .28 .19 10.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.950 15508 7066 7755 15331 10.1 146607.76 39.67 10.62 0.287 -0.066 9.1 0.237 0.314 1.02 .01-.01-.01 .35 .23 .17 36.759 16084 7165 7841 15941 10.5 145938.85 39.91 10.61 0.273 -0.063 8.6 0.242 0.319 1.00 .02-.02-.02 .36 .23 .18 72.568 16071 7462 7640 16049 11.4 143749.28 39.82 10.61 0.270 -0.058 8.5 0.244 0.322 1.02 .03-.01-.02 .39 .22 .19 108.377 16116 7311 7625 16108 11.4 143719.34 39.71 10.61 0.289 -0.049 9.0 0.262 0.338 1.07 .02-.02-.02 .39 .25 .18 144.186 14734 6912 7529 14603 10.6 142355.81 39.31 10.62 0.295 -0.036 8.7 0.268 0.338 1.08 .03-.02-.02 .38 .23 .18 179.995 4724 3088 3329 4562 11.0 122576.03 38.15 10.60 0.281 -0.083 7.2 0.194 0.348 1.21 .01-.00-.01 .37 .25 .19 215.804 2945 1949 1967 2942 9.4 118865.67 38.42 10.61 0.318 -0.114 8.9 0.171 0.418 1.63 .01 .01-.02 .41 .25 .20 251.613 2965 1963 1979 2964 7.9 123660.67 38.14 10.64 0.271 -0.095 8.2 0.201 0.377 1.44-.01-.02-.02 .36 .27 .21 287.422 2954 1862 1951 2947 8.5 125833.48 38.08 10.63 0.227 -0.087 6.6 0.217 0.336 1.19-.03-.02-.01 .39 .23 .20 323.231 2917 1892 1950 2907 8.2 137717.85 41.10 10.61 0.188 -0.047 6.5 0.192 0.281 0.96-.03-.01 .00 .36 .22 .19 359.040 2967 1960 1972 2966 7.2 150465.41 42.79 10.62 0.184 0.038 5.6 0.183 0.263 0.94-.01-.01 .00 .38 .25 .20 394.849 2950 1954 1963 2949 8.3 154852.34 44.25 10.62 0.211 0.115 5.9 0.186 0.240 0.92-.03-.01-.02 .41 .25 .18 430.658 2943 1863 1952 2937 7.4 176565.27 48.16 10.62 0.228 0.154 7.2 0.192 0.220 0.87-.03-.02-.02 .36 .25 .19 466.467 2935 1879 1945 2921 8.0 175123.57 48.02 10.63 0.250 0.201 7.3 0.190 0.248 1.08-.01-.02-.00 .45 .26 .20 502.276 2919 1933 1950 2914 7.8 185692.16 49.46 10.63 0.272 0.234 9.7 0.187 0.270 1.21-.03-.00 .01 .37 .22 .20 538.085 2934 1939 1951 2933 8.0 193344.61 50.43 10.63 0.279 0.244 8.8 0.156 0.324 1.54-.04-.01-.02 .47 .27 .21 573.894 2921 1861 1932 2916 6.6 208415.20 51.48 10.63 0.266 0.227 8.6 0.154 0.338 1.66-.05-.02-.04 .37 .27 .23 609.703 2924 1873 1939 2904 5.4 195008.33 48.64 10.63 0.210 0.165 6.8 0.138 0.322 1.50-.03-.05-.04 .38 .25 .22 645.512 2891 1925 1938 2886 6.1 173729.52 44.99 10.62 0.168 0.064 5.2 0.152 0.274 1.15-.05 .01-.03 .47 .30 .27 681.321 2832 1884 1893 2830 5.9 166432.18 45.61 10.61 0.192 0.024 5.5 0.176 0.217 0.83-.04 .03-.03 .42 .26 .26 717.130 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6639 4092 4191 6587 9.0 149481.63 40.99 10.61 0.216 -0.023 6.2 0.195 0.279 0.96 .02-.02-.02 .33 .21 .18 10.000 6922 4316 4535 6800 9.3 145029.95 40.48 10.61 0.229 -0.011 6.5 0.204 0.269 0.93 .03-.02-.03 .36 .21 .19 20.000 6372 3920 4196 6256 10.2 145082.48 40.51 10.62 0.239 0.009 6.7 0.216 0.257 0.91 .01-.02-.03 .35 .21 .19 30.000 5170 2932 3225 5167 9.4 155471.58 42.42 10.62 0.237 0.047 6.9 0.224 0.224 0.83 .04-.01-.02 .37 .22 .19 40.000 5180 2806 3170 5179 9.0 155137.29 42.70 10.63 0.242 0.054 7.2 0.238 0.214 0.76 .03-.02-.03 .37 .22 .20 50.000 4317 2621 2918 4317 10.6 163675.60 44.45 10.63 0.231 0.050 7.1 0.230 0.214 0.79 .04-.02-.03 .39 .22 .17 60.000 2984 2405 2411 2983 9.7 153129.29 42.40 10.62 0.200 0.039 6.1 0.166 0.237 0.89 .02-.02-.01 .41 .24 .17 70.000 3078 2394 2439 3075 9.2 157301.24 43.17 10.62 0.202 0.023 6.1 0.167 0.280 1.06 .02-.02-.02 .34 .26 .18 80.000 3006 2288 2341 3000 9.2 157914.14 43.07 10.62 0.238 0.013 7.3 0.186 0.291 1.08 .03-.01-.02 .34 .21 .18 90.000 3051 2246 2295 3042 10.3 148184.64 41.43 10.62 0.250 -0.017 7.4 0.180 0.322 1.24 .04-.02-.02 .37 .27 .20 100.000 3012 2192 2218 3008 9.7 143914.48 39.90 10.61 0.265 -0.054 7.9 0.171 0.367 1.38 .04-.01-.02 .40 .22 .19 110.000 3058 2199 2217 3055 9.0 151162.85 41.93 10.62 0.270 -0.053 8.6 0.173 0.381 1.40 .02-.01-.01 .44 .25 .17 120.000 2995 2111 2123 2994 8.7 146534.33 40.50 10.63 0.271 -0.074 8.5 0.185 0.395 1.42 .02-.01-.02 .34 .22 .20 130.000 3045 2284 2287 3045 8.1 149207.75 40.94 10.64 0.256 -0.057 8.2 0.181 0.360 1.28 .01-.03-.02 .34 .26 .19 140.000 2498 1863 1904 2496 8.4 148587.25 40.15 10.64 0.234 -0.022 7.4 0.189 0.334 1.27 .02-.03-.01 .41 .26 .21 150.000 1828 1271 1327 1823 8.6 145676.18 40.32 10.63 0.218 -0.033 6.6 0.216 0.328 1.20-.02-.01-.00 .38 .21 .19 160.000 1863 1298 1344 1857 7.5 144944.86 40.11 10.62 0.202 -0.035 6.9 0.208 0.311 1.06-.03-.01 .01 .36 .23 .21 170.000 1762 1266 1293 1758 8.6 155486.32 42.73 10.62 0.189 -0.002 6.1 0.189 0.271 0.94-.03-.01 .00 .36 .21 .19 180.000 1785 1293 1301 1784 10.0 134494.67 38.60 10.61 0.264 -0.063 9.0 0.267 0.286 0.86-.01-.01-.00 .43 .28 .22 190.000 1841 1334 1338 1841 10.4 139261.04 40.75 10.60 0.287 -0.034 10.6 0.262 0.293 0.88 .00-.02 .01 .41 .34 .18 200.000 1889 1360 1362 1889 11.3 140344.33 40.58 10.60 0.301 0.004 9.8 0.280 0.258 0.79-.02-.01-.02 .50 .28 .18 210.000 1844 1291 1322 1841 10.3 154768.66 43.38 10.61 0.342 0.011 12.0 0.295 0.287 0.87-.03-.01-.02 .39 .23 .19 220.000 1988 1404 1454 1985 10.8 155036.90 42.97 10.61 0.326 0.031 11.3 0.289 0.264 0.87-.02-.02-.02 .38 .27 .20 230.000 2169 1435 1492 2163 11.2 157740.50 43.90 10.61 0.348 0.021 11.5 0.308 0.281 0.90-.02-.00-.01 .42 .22 .17 240.000 2161 1533 1563 2152 10.7 151841.99 43.00 10.62 0.368 0.034 11.7 0.303 0.313 1.04-.00-.02-.01 .45 .28 .20 250.000 2136 1573 1589 2132 11.5 160239.04 44.13 10.62 0.365 0.065 12.1 0.291 0.335 1.12-.04-.00-.00 .38 .22 .18 260.000 2090 1574 1577 2089 11.6 164196.16 45.13 10.62 0.393 0.075 15.4 0.297 0.346 1.18-.03 .01-.00 .41 .24 .20 270.000 2175 1640 1643 2174 11.2 167928.15 45.78 10.62 0.378 0.094 13.2 0.249 0.373 1.31-.03 .00-.01 .50 .28 .18 280.000 2487 1867 1957 2473 11.4 157903.42 43.13 10.61 0.387 0.056 12.8 0.267 0.374 1.29-.04-.02-.02 .43 .29 .22 290.000 3882 2706 3160 3783 10.4 155571.93 42.84 10.62 0.354 0.051 10.9 0.251 0.370 1.32-.02-.01-.02 .36 .27 .21 300.000 3582 2296 2762 3464 10.7 144285.17 40.59 10.61 0.327 0.060 10.0 0.240 0.369 1.36-.02-.01-.02 .41 .28 .20 310.000 3580 2270 2726 3495 10.1 147525.77 40.57 10.60 0.298 0.020 9.5 0.241 0.361 1.29-.02-.02-.03 .36 .24 .21 320.000 3638 2678 2895 3618 10.0 142584.49 39.51 10.60 0.250 -0.009 7.7 0.225 0.321 1.15-.02 .00-.03 .42 .26 .22 330.000 6814 4539 4629 6802 9.7 146826.67 40.19 10.62 0.245 -0.056 7.6 0.211 0.319 1.10-.00 .01-.01 .40 .23 .18 340.000 6838 4463 4506 6836 8.8 140173.71 39.23 10.61 0.242 -0.069 7.1 0.213 0.295 0.99 .00-.00-.02 .38 .24 .20 350.000 6555 4098 4114 6547 9.7 144035.64 40.04 10.61 0.228 -0.044 6.5 0.203 0.285 0.97 .00-.02-.04 .37 .21 .19 360.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 7682 4227 4314 7679 20.5 164886.63 35.39 10.57 0.654 -0.315 27.6 0.542 0.470 1.05 .02-.00 .03 .48 .33 .24 0.119 6811 6001 6395 6805 9.4 131636.67 39.63 10.59 0.178 0.012 4.5 0.136 0.278 1.05-.05-.01-.02 .31 .21 .18 0.238 6990 4941 5573 6861 8.3 157433.44 41.95 10.61 0.232 0.135 6.0 0.187 0.331 1.38-.06-.00-.03 .37 .22 .20 0.357 7155 5297 6090 6892 11.2 118792.95 35.49 10.60 0.279 -0.050 6.5 0.240 0.310 1.03-.00 .01-.02 .32 .17 .17 0.476 7177 5504 6231 6956 11.0 119646.94 36.31 10.59 0.243 -0.005 5.7 0.231 0.248 0.85-.02 .00-.02 .34 .20 .17 0.595 5721 5001 5002 5721 8.4 193374.68 46.93 10.62 0.184 0.155 6.5 0.176 0.252 1.06 .07-.03-.01 .56 .33 .17 0.714 5425 4823 4915 5397 8.3 160803.39 44.60 10.59 0.185 0.033 5.6 0.211 0.298 1.20 .05-.02-.01 .49 .30 .16 0.833 5141 4918 5064 5095 8.2 121796.85 43.15 10.62 0.316 -0.026 8.7 0.207 0.384 1.37-.03-.01-.01 .28 .25 .15 0.952 5444 4711 5023 5426 8.5 139449.50 42.84 10.62 0.240 -0.095 7.4 0.184 0.280 0.85-.01 .00-.03 .33 .21 .16 1.071 4576 4484 4523 4576 9.3 117058.32 42.72 10.62 0.330 -0.155 9.9 0.242 0.353 1.07-.02-.00 .00 .30 .21 .15 1.190 6000 5507 5760 5995 10.1 137344.70 43.16 10.60 0.257 -0.019 7.2 0.130 0.332 1.21-.03 .01-.01 .28 .23 .17 1.309 6753 5983 6352 6748 7.6 158392.05 42.83 10.62 0.221 0.139 5.7 0.126 0.286 1.26-.11-.01-.03 .40 .24 .24 1.428 6253 4655 5046 6253 8.5 172356.70 44.45 10.63 0.200 0.084 6.1 0.189 0.242 0.92 .03-.03-.05 .39 .23 .23 1.547 6198 4240 4625 6198 10.3 129177.46 37.09 10.62 0.256 -0.145 7.3 0.227 0.308 0.98 .04-.02-.03 .38 .22 .19 1.666 6006 5552 5561 6006 6.1 203595.45 50.00 10.66 0.236 0.208 8.6 0.216 0.263 1.11 .06-.00-.01 .40 .25 .28 1.785 6145 4368 4663 6145 8.3 172284.79 45.88 10.64 0.212 0.076 6.6 0.188 0.294 1.11 .04-.02-.03 .37 .22 .23 1.904 6386 4360 4581 6386 7.5 181990.18 44.61 10.65 0.209 0.111 6.6 0.191 0.305 1.18 .05-.05-.03 .36 .21 .16 2.023 6202 4668 4926 6202 9.1 151519.97 40.63 10.63 0.228 -0.024 7.3 0.216 0.355 1.19 .03-.03-.03 .38 .21 .15 2.142 6365 4657 4864 6365 9.8 140948.99 40.04 10.63 0.235 -0.051 6.9 0.251 0.224 0.73 .01-.02-.04 .38 .24 .19 2.261 5804 4338 4486 5804 10.7 118546.54 35.11 10.63 0.380 -0.354 10.4 0.252 0.376 1.06 .05-.04-.03 .42 .25 .16 2.380 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 3411 1866 1866 3411 6.6 316605.55 48.84 10.67 0.212 0.181 7.9 0.182 0.231 0.94 .01-.01 .05 .24 .17 .26 2.000 3465 3295 3296 3465 36.8 24618.582 7.77 10.48 6.767 -6.874 52.5 5.543 2.807 1.11 .03 .01 .02 .66 .45 .22 3.000 11212 8609 9238 11187 8.4 149053.36 42.16 10.60 0.207 0.090 5.3 0.136 0.284 1.16-.07-.01-.02 .34 .22 .19 4.000 3452 2965 3452 3337 10.5 125655.54 35.86 10.61 0.195 -0.004 4.8 0.272 0.368 1.28-.01 .01-.01 .32 .19 .17 5.000 3401 2928 3401 3285 12.6 92002.612 30.03 10.60 0.348 -0.198 7.0 0.307 0.311 0.97 .00 .02-.03 .35 .18 .18 6.000 3424 2924 3424 3292 9.5 147041.67 40.33 10.59 0.232 0.043 5.9 0.194 0.263 1.00-.01-.00-.02 .28 .17 .17 7.000 3463 2977 3463 3354 11.2 105356.60 32.65 10.58 0.295 -0.149 6.7 0.260 0.236 0.75-.01-.01-.01 .34 .19 .17 8.000 3485 2993 3485 3360 11.6 117356.60 36.93 10.59 0.189 0.037 4.2 0.197 0.296 1.08-.03 .01-.03 .35 .20 .16 9.000 9469 5933 5937 9469 8.0 193557.24 46.41 10.62 0.193 0.140 6.6 0.202 0.262 1.08 .08-.03-.01 .56 .33 .17 10.000 8439 7802 8062 8347 8.1 126335.76 44.15 10.61 0.254 -0.029 7.2 0.179 0.311 1.14-.03-.01-.02 .27 .25 .16 11.000 2642 2365 2640 2642 10.1 115014.48 34.24 10.63 0.348 -0.240 9.4 0.249 0.428 1.10 .03-.01-.02 .35 .18 .16 12.000 8262 7759 7822 8262 8.2 147005.28 48.74 10.62 0.267 -0.002 8.8 0.179 0.297 1.06-.03 .01-.01 .30 .23 .15 13.000 11181 8569 9183 11171 9.2 139252.59 40.57 10.60 0.233 0.026 5.9 0.136 0.308 1.16-.08-.01-.03 .37 .23 .23 14.000 2600 2325 2598 2600 9.6 173906.81 45.40 10.63 0.181 0.146 5.5 0.167 0.185 0.75 .04-.02-.04 .40 .24 .25 15.000 2668 2378 2667 2668 8.5 171376.00 43.56 10.62 0.206 0.058 6.3 0.201 0.289 1.05 .06-.04-.06 .37 .23 .19 16.000 2678 2394 2677 2678 9.1 155531.69 41.53 10.64 0.229 -0.009 6.9 0.229 0.247 0.83 .05-.03-.03 .36 .21 .15 17.000 2588 2312 2587 2588 12.1 110841.15 33.60 10.62 0.316 -0.288 7.9 0.279 0.368 0.95 .03-.04-.03 .40 .23 .16 18.000 9926 7740 7759 9926 7.1 185490.07 47.67 10.65 0.230 0.139 8.0 0.202 0.270 1.06 .06 .00-.01 .40 .24 .28 19.000 2662 2376 2662 2662 7.8 176283.26 45.78 10.65 0.196 0.162 5.9 0.195 0.168 0.71 .02-.02-.04 .36 .23 .16 20.000 2649 2448 2649 2649 8.8 174185.18 44.69 10.63 0.279 0.103 8.3 0.265 0.342 1.23 .05-.05-.02 .33 .20 .14 21.000 2589 2586 2587 2589 5.9 195443.80 45.97 10.67 0.163 0.143 5.5 0.125 0.322 1.40 .05-.03-.02 .38 .21 .13 22.000 2653 2443 2651 2653 8.5 168564.08 42.87 10.63 0.208 0.003 6.3 0.201 0.363 1.28 .04-.06-.05 .33 .21 .19 23.000 2502 2495 2501 2502 7.5 190750.47 45.57 10.64 0.139 0.115 4.5 0.152 0.373 1.58 .04-.04-.02 .40 .22 .15 24.000 2648 2446 2647 2648 10.6 111765.74 33.91 10.63 0.337 -0.239 9.4 0.256 0.374 0.96 .04-.04-.03 .38 .21 .15 25.000 2337 2337 2337 2337 10.1 119887.01 35.85 10.63 0.349 -0.297 9.3 0.406 0.264 0.63-.04-.01-.03 .37 .21 .15 26.000 2648 2444 2648 2648 9.0 179465.34 46.67 10.65 0.180 0.130 5.6 0.182 0.164 0.67 .03-.02-.04 .36 .23 .23 27.000 2625 2428 2625 2625 11.3 114224.96 34.85 10.63 0.256 -0.217 6.7 0.265 0.320 0.90 .04-.05-.03 .44 .27 .15 28.000 2545 2537 2545 2545 9.8 115800.51 33.30 10.61 0.376 -0.360 10.2 0.207 0.462 1.40 .07-.03-.04 .43 .25 .17 29.000 2610 2608 2610 2610 11.1 121426.22 36.60 10.65 0.408 -0.376 11.4 0.282 0.347 0.91 .03-.03-.02 .38 .23 .15 30.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3366 1400 1589 3317 99.7 15.064 0.01 10.55 3.117-212.119 3.5 2.708 2.396 1.08 .05 .01-.01 .86 .45 .33 0.100 2260 1268 1403 2230 96.6 1236.304 0.74 10.56 2.682 -2.642 1.6 2.129 2.213 1.24 .05 .01 .00 .78 .43 .35 0.200 2702 1495 1652 2674 87.9 2455.414 1.48 10.56 4.018 -3.782 3.4 3.273 2.677 1.31 .08-.00-.01 .69 .38 .36 0.300 2908 1701 1851 2877 67.4 7714.281 4.67 10.57 1.792 -1.486 4.9 1.428 1.051 1.17 .02-.01-.01 .65 .37 .31 0.400 3649 2238 2421 3617 36.1 29430.949 15.26 10.59 0.757 -0.411 6.5 0.599 0.512 1.11 .02-.02-.01 .55 .34 .32 0.500 5067 3067 3283 5040 13.2 57315.246 24.71 10.60 0.444 -0.130 6.2 0.383 0.390 1.15 .01-.01-.01 .51 .29 .23 0.600 11250 5875 6368 11163 1.8 116293.54 36.95 10.62 0.307 -0.030 7.5 0.272 0.341 1.10 .01-.01-.03 .47 .27 .22 0.700 20498 8057 8783 20366 0.1 146556.64 39.23 10.63 0.267 -0.010 7.9 0.232 0.327 1.07 .00-.01-.02 .35 .20 .17 0.800 46749 9021 10004 46483 0.0 176800.86 43.32 10.63 0.247 0.012 8.6 0.209 0.321 1.09-.00-.01-.02 .27 .19 .15 0.900 25785 7332 7673 25743 0.0 217384.41 51.84 10.62 0.246 0.023 10.7 0.195 0.304 1.08-.00-.02-.02 .21 .21 .13 1.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 107592 10665 12131 107147 8.9 154385.50 43.75 10.62 0.264 -0.002 8.6 0.219 0.361 1.09-.00-.01-.02 .25 .16 .18 0.050 2424 1946 2119 2379 13.8 114740.34 31.79 10.59 0.244 -0.009 6.1 0.226 0.307 1.13 .01-.03-.03 .52 .30 .22 0.100 1982 1574 1723 1958 13.6 106899.67 30.60 10.59 0.248 0.010 5.3 0.200 0.288 1.06 .02-.03-.02 .53 .33 .23 0.150 1656 1355 1486 1628 15.0 127050.84 32.61 10.57 0.248 0.013 6.2 0.212 0.296 1.10 .08-.02-.03 .83 .44 .34 0.200 1803 1463 1606 1774 13.4 136535.28 34.36 10.59 0.270 0.044 7.0 0.231 0.274 1.01 .06-.04-.02 .69 .44 .25 0.250 1838 1471 1625 1808 15.0 125312.81 31.58 10.60 0.282 0.054 6.4 0.244 0.265 0.98 .06-.04-.03 .73 .38 .26 0.300 1401 1163 1293 1377 17.0 107857.58 26.71 10.59 0.282 0.029 5.6 0.259 0.271 1.01 .07-.02-.03 .82 .47 .25 0.350 1367 1136 1251 1344 16.8 125797.54 27.81 10.59 0.313 0.055 6.0 0.269 0.289 1.10 .11-.06-.05 1.1 .61 .31 0.400 1382 1112 1252 1359 16.4 121770.44 26.27 10.59 0.308 -0.019 5.5 0.260 0.282 0.99 .09-.04-.04 .97 .58 .24 0.450 1172 963 1087 1151 18.9 100611.89 20.73 10.58 0.272 -0.042 4.2 0.234 0.324 1.16 .05-.05-.03 1.1 .68 .24 0.500 847 712 795 826 18.1 107519.28 21.57 10.59 0.289 -0.026 4.5 0.231 0.303 1.07 .12-.07-.04 1.2 .88 .35 0.550 770 681 728 759 16.2 162042.38 28.78 10.60 0.259 0.019 5.5 0.233 0.293 1.08-.01-.07-.04 1.3 .84 .30 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8872 5640 6135 8791 14.9 111250.42 35.20 10.60 0.265 -0.005 6.5 0.221 0.305 1.06 .00-.01-.01 .41 .22 .19 0.050 7484 5068 5436 7417 14.2 122738.37 37.05 10.61 0.272 -0.014 7.1 0.229 0.307 1.05 .01-.01-.01 .40 .24 .19 0.100 6399 4483 4820 6330 10.9 146063.12 41.09 10.61 0.255 -0.004 7.7 0.215 0.299 1.05 .02-.01-.02 .37 .22 .18 0.150 5517 4031 4272 5490 8.4 160553.61 42.89 10.62 0.261 -0.002 8.8 0.221 0.298 1.04 .02-.01-.02 .34 .22 .19 0.200 4375 3326 3481 4362 5.4 178356.13 45.41 10.63 0.253 0.010 9.2 0.206 0.306 1.09 .01-.01-.02 .38 .24 .20 0.250 5442 3912 4111 5419 5.6 183323.32 45.12 10.63 0.258 0.008 9.4 0.211 0.311 1.10 .01-.01-.02 .40 .27 .20 0.300 5320 3864 4049 5305 6.9 184044.17 45.71 10.62 0.258 0.016 9.0 0.216 0.302 1.07 .01-.01-.02 .42 .28 .17 0.350 5942 4227 4471 5914 7.7 164826.70 43.98 10.62 0.256 0.010 8.4 0.216 0.300 1.04 .00-.01-.03 .38 .24 .18 0.400 6560 4599 4864 6535 8.7 147641.26 40.98 10.62 0.287 -0.023 8.8 0.241 0.313 1.05 .01-.02-.03 .35 .22 .18 0.450 6390 4522 4792 6358 9.7 141603.62 40.32 10.62 0.290 -0.011 8.9 0.248 0.309 1.06 .01-.02-.02 .37 .23 .19 0.500 7582 5109 5408 7551 10.7 145934.73 41.22 10.62 0.283 -0.001 9.4 0.238 0.305 1.04 .01-.01-.02 .39 .23 .18 0.550 6235 4429 4690 6198 10.1 153064.16 42.21 10.62 0.277 -0.025 8.8 0.238 0.315 1.07 .01-.01-.01 .31 .23 .19 0.600 5634 4105 4343 5607 7.8 171801.24 44.17 10.62 0.258 0.001 8.6 0.221 0.297 1.04 .02-.02-.01 .39 .26 .19 0.650 5186 3809 3987 5164 6.1 184268.17 45.64 10.63 0.252 0.018 9.0 0.212 0.297 1.07-.00-.01-.01 .38 .25 .21 0.700 4435 3290 3484 4416 5.3 183840.54 45.23 10.63 0.257 0.011 9.3 0.212 0.301 1.06-.00-.01-.02 .37 .23 .20 0.750 5577 4065 4308 5558 5.9 177382.21 44.95 10.62 0.251 0.012 8.9 0.205 0.294 1.06-.01-.01-.02 .40 .24 .20 0.800 5537 4060 4336 5504 8.1 155387.20 42.56 10.62 0.261 -0.004 8.4 0.209 0.302 1.06-.01-.01-.03 .39 .24 .22 0.850 6791 4751 5105 6750 10.8 129467.13 38.50 10.61 0.268 -0.012 7.5 0.221 0.311 1.08-.01-.01-.02 .39 .27 .20 0.900 7655 5112 5524 7612 13.4 119328.92 36.84 10.61 0.257 0.015 6.5 0.218 0.295 1.05-.01-.02-.02 .40 .23 .21 0.950 7301 4985 5417 7229 13.9 114337.65 35.84 10.60 0.267 0.003 6.5 0.218 0.309 1.07 .00-.01-.01 .41 .23 .20 1.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 67 65 65 67 35.8 5222.936 4.58 10.61 0.300 -0.046 1.3 0.289 0.276 0.75 .01-.00-.00 .12 .06 .23 1558.500 5467 2463 2616 5463 14.1 15999.653 10.29 10.65 0.274 -0.128 2.5 0.246 0.321 0.98 .02-.01-.02 .14 .07 .19 3117.000 20938 6167 6530 20898 11.2 45150.650 18.29 10.63 0.259 -0.070 3.9 0.224 0.347 1.11 .01-.01-.02 .16 .09 .19 6234.000 40919 9312 10098 40793 8.7 90625.793 27.79 10.62 0.296 -0.080 6.9 0.242 0.425 1.17-.00-.01-.02 .20 .13 .18 12468.000 33462 9622 10632 33222 8.9 168195.47 40.59 10.61 0.264 -0.008 8.8 0.218 0.342 1.11 .00-.01-.02 .37 .23 .20 24936.000 16632 7088 7772 16410 9.7 268936.09 57.13 10.60 0.265 0.018 12.9 0.222 0.312 1.08-.01-.02-.02 .51 .35 .20 49872.000 5386 2852 3112 5320 12.1 473316.75 86.26 10.60 0.242 0.068 18.2 0.209 0.287 1.00 .04-.04-.01 .87 .49 .22 99744.000 1192 672 741 1166 10.5 804546.81 130.32 10.63 0.211 0.117 25.5 0.189 0.243 0.82 .18-.14 .03 1.6 .98 .30 199488.000 150 101 102 150 4.0 1391714.8 210.90 10.67 0.248 0.205 46.9 0.204 0.236 0.82 .32-.18 .02 1.2 .80 .25 398976.000 21 16 16 21 0.0 2523778.9 323.52 10.68 0.250 0.235 94.7 0.201 0.248 0.89-.06-.04-.04 .25 .18 .24 797952.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.178 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.355 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.533 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.710 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.888 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.066 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.243 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.421 58537 10741 12508 57877 12.6 104571.81 30.76 10.50 0.295 -0.078 7.5 0.251 0.419 1.09 .02-.00-.02 .50 .26 .22 10.598 65697 9761 10503 65633 7.2 190135.67 50.01 10.72 0.250 0.038 8.9 0.207 0.296 1.08-.01-.02-.02 .23 .22 .17 11.776 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 633 417 568 586 36.0 43685.269 13.93 10.51 0.219 -0.107 3.3 0.250 0.302 1.42-2.1-.27-.14 2.3 1.4 .55 -1.380 156 126 154 150 38.5 26888.206 9.21 10.51 0.550 -0.413 3.8 0.455 0.531 1.65-1.3-.07-.06 1.3 .75 .48 -1.260 167 137 161 161 33.5 39537.063 12.38 10.50 0.231 -0.087 2.3 0.209 0.280 1.54-1.2-.08-.13 1.2 .63 .42 -1.140 236 193 230 228 35.2 34227.036 11.11 10.52 0.466 -0.286 4.6 0.449 0.412 1.33-1.1-.10-.10 1.1 .69 .44 -1.020 325 252 321 308 27.4 40245.900 13.97 10.51 0.207 -0.080 2.4 0.203 0.319 1.55-.96-.17-.07 .96 .60 .36 -0.900 479 384 464 461 32.2 34364.913 11.93 10.52 0.386 -0.214 3.1 0.325 0.432 1.60-.84-.07-.04 .84 .48 .37 -0.780 734 590 689 714 27.5 33983.400 12.23 10.53 0.383 -0.178 3.1 0.313 0.399 1.53-.72-.07-.07 .72 .46 .34 -0.660 1031 791 940 1000 23.9 44572.484 15.33 10.54 0.329 -0.103 3.8 0.266 0.369 1.44-.59-.06-.06 .59 .40 .34 -0.540 1598 1251 1442 1563 26.0 51190.138 18.14 10.56 0.274 -0.068 3.9 0.227 0.330 1.31-.47-.05-.08 .47 .35 .37 -0.420 2940 2232 2472 2908 21.4 60518.150 20.97 10.57 0.313 -0.067 4.7 0.256 0.344 1.30-.35-.03-.06 .36 .26 .31 -0.300 6955 4509 4869 6906 15.2 92085.448 29.37 10.60 0.285 -0.032 5.8 0.225 0.320 1.17-.23-.02-.05 .23 .20 .23 -0.180 24321 8320 8819 24270 6.6 165621.90 45.09 10.65 0.265 0.015 8.6 0.210 0.321 1.07-.11-.01-.03 .12 .11 .15 -0.060 44768 9146 9735 44689 5.0 185461.76 50.18 10.64 0.266 0.003 10.2 0.224 0.327 1.07-.00-.01-.01 .04 .10 .13 0.060 25852 8014 8530 25773 6.4 162503.06 40.82 10.61 0.247 0.009 7.8 0.212 0.305 1.06 .11-.01-.01 .12 .11 .14 0.180 6271 4409 4693 6233 16.1 97564.504 29.72 10.58 0.288 -0.041 6.9 0.256 0.341 1.16 .23-.01-.00 .23 .20 .23 0.300 2589 2027 2242 2547 24.6 54616.613 19.39 10.56 0.337 -0.130 4.6 0.293 0.335 1.08 .35-.01 .01 .36 .30 .30 0.420 1422 1153 1279 1390 28.6 65154.422 20.69 10.54 0.278 -0.048 3.7 0.248 0.311 1.05 .47-.01-.00 .48 .34 .34 0.540 905 728 840 878 31.4 57484.873 18.79 10.54 0.238 -0.051 3.0 0.198 0.349 1.26 .60-.00 .02 .60 .39 .32 0.660 656 536 630 625 32.0 47116.166 15.93 10.53 0.234 -0.035 2.6 0.223 0.277 1.04 .72-.02-.00 .72 .45 .42 0.780 465 390 448 447 35.9 73159.358 21.77 10.51 0.297 -0.008 4.5 0.250 0.269 0.92 .84-.02-.01 .84 .49 .36 0.900 306 257 295 301 33.3 61277.774 18.10 10.51 0.235 -0.069 4.0 0.222 0.232 0.71 .96 .05-.01 .96 .55 .39 1.020 250 209 247 237 38.0 33545.155 10.26 10.51 0.385 -0.165 5.9 0.343 0.388 1.22 1.1 .00-.03 1.1 .71 .33 1.140 181 149 177 177 39.2 29632.128 9.01 10.50 0.512 -0.244 4.9 0.492 0.367 0.93 1.2-.08-.02 1.2 .72 .38 1.260 156 126 153 145 40.4 40061.995 11.87 10.49 0.464 -0.175 3.2 0.376 0.388 1.31 1.3 .00-.00 1.3 .72 .32 1.380 838 614 719 813 38.7 38264.501 8.85 10.49 0.348 -0.145 5.0 0.316 0.305 1.00 2.7-.15-.03 3.1 1.5 .59 1.500 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 334 274 312 328 29.3 38402.263 9.82 10.69 0.368 -0.213 3.6 0.313 0.394 1.35 .61-2.4-.06 3.1 2.7 .73 -1.380 70 62 70 69 20.0 42205.209 11.04 10.66 0.406 -0.177 3.4 0.386 0.315 0.95 .07-1.3-.10 1.7 1.3 .37 -1.260 80 70 79 79 22.5 55576.762 14.08 10.62 0.313 -0.150 8.3 0.277 0.255 0.93-.17-1.2-.10 1.9 1.2 .38 -1.140 113 102 113 113 25.7 51966.700 14.83 10.64 0.238 -0.122 2.8 0.167 0.392 1.51-.03-1.1-.15 1.6 1.1 .37 -1.020 150 134 148 149 30.0 45849.578 12.70 10.61 0.326 -0.165 3.8 0.314 0.483 1.60 .23-.96-.06 1.5 .96 .42 -0.900 227 198 225 224 27.8 67147.001 17.55 10.59 0.269 -0.081 3.9 0.223 0.322 1.23 .17-.83-.07 1.5 .83 .35 -0.780 353 305 344 348 27.2 48773.000 15.24 10.60 0.261 -0.080 3.2 0.232 0.298 1.15 .00-.71-.07 1.1 .71 .34 -0.660 578 494 552 567 28.0 53827.679 16.62 10.59 0.273 -0.095 3.8 0.239 0.317 1.15 .01-.59-.06 1.0 .59 .34 -0.540 992 844 955 980 24.8 61258.032 19.51 10.57 0.271 -0.110 4.5 0.250 0.333 1.18-.02-.47-.06 .73 .48 .30 -0.420 1969 1650 1791 1947 22.3 73574.489 23.32 10.58 0.278 -0.120 4.9 0.243 0.342 1.16-.04-.35-.06 .58 .35 .28 -0.300 5419 3879 4188 5360 16.4 100954.64 30.10 10.58 0.272 -0.012 5.9 0.223 0.340 1.24-.03-.23-.05 .39 .23 .25 -0.180 22704 8901 9689 22531 9.5 139813.03 39.37 10.61 0.237 0.046 6.8 0.206 0.298 1.09-.01-.10-.04 .22 .11 .18 -0.060 65331 10271 11372 65065 5.5 181089.74 46.84 10.64 0.260 0.007 9.4 0.222 0.318 1.09 .00-.00-.02 .16 .03 .15 0.060 17335 7785 8390 17246 12.2 126904.11 38.88 10.60 0.295 -0.052 8.4 0.220 0.350 1.08-.00 .11 .01 .24 .11 .19 0.180 4420 3313 3536 4390 20.3 79538.480 27.68 10.57 0.357 -0.100 7.3 0.273 0.361 1.15 .02 .23 .02 .45 .23 .25 0.300 1764 1482 1614 1747 27.3 54143.987 20.28 10.56 0.420 -0.200 6.4 0.318 0.378 1.07 .04 .35 .02 .66 .35 .32 0.420 868 774 837 858 31.5 51396.420 18.12 10.55 0.382 -0.203 5.7 0.294 0.366 1.03 .04 .47 .03 .77 .47 .29 0.540 503 458 491 499 31.2 42082.045 15.10 10.53 0.322 -0.102 5.3 0.253 0.336 1.22 .10 .59 .01 .93 .60 .39 0.660 288 260 282 284 32.3 46214.822 15.02 10.54 0.233 -0.074 3.1 0.234 0.328 1.20 .21 .72 .01 1.1 .72 .32 0.780 186 169 185 184 34.4 50006.201 15.80 10.52 0.357 -0.230 5.0 0.326 0.404 1.16 .22 .84-.03 1.6 .84 .36 0.900 136 124 135 133 33.1 51516.446 16.49 10.50 0.261 -0.073 3.8 0.215 0.360 1.27 .24 .95-.04 1.5 .96 .38 1.020 100 92 100 99 36.0 41377.389 12.26 10.51 0.493 -0.343 6.0 0.389 0.387 1.22 .17 1.1-.09 1.7 1.1 .38 1.140 61 57 61 60 41.0 37844.584 10.58 10.47 0.292 -0.072 3.1 0.262 0.272 1.15-.05 1.2-.20 2.0 1.2 .61 1.260 50 46 50 49 28.0 47398.170 11.76 10.46 0.642 -0.420 8.7 0.441 0.493 1.48 .27 1.3-.14 2.3 1.3 .43 1.380 203 187 196 201 38.9 35229.106 8.21 10.44 0.423 -0.178 3.4 0.408 0.327 1.05 1.2 2.0-.06 3.1 2.1 .55 1.500 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 98 80 98 95 42.9 29063.053 11.31 10.54 0.101 -0.006 1.0 0.096 0.203 1.42 .03 .02-2.6 1.3 .26 2.7 -1.380 10 5 10 9 30.0 16312.990 9.61 10.55 0.053 0.005 0.5 0.273 0.396 0.83-.16-.08-1.3 .53 .12 1.3 -1.260 32 26 32 31 34.4 34531.071 16.16 10.60 0.087 -0.025 1.5 0.067 0.267 1.40-.32-.66-1.2 1.5 2.0 1.2 -1.140 32 26 32 32 31.2 50941.853 20.76 10.62 0.073 0.008 1.4 0.069 0.254 1.54-.16-.24-1.1 1.4 1.1 1.1 -1.020 66 52 66 64 25.8 61011.055 22.70 10.57 0.249 -0.067 4.4 0.262 0.249 0.93-.12-.26-.95 1.7 1.3 .95 -0.900 112 91 112 108 19.6 97484.785 31.10 10.60 0.186 -0.013 4.8 0.145 0.242 1.13-.25-.47-.84 2.1 1.5 .84 -0.780 172 143 171 168 25.6 70494.692 25.43 10.60 0.160 0.010 3.1 0.134 0.273 1.32-.07-.22-.71 2.0 1.3 .71 -0.660 443 385 434 439 30.0 100832.04 34.50 10.58 0.265 0.048 6.2 0.233 0.247 1.04-.00-.08-.59 1.5 .95 .59 -0.540 1142 954 1051 1130 31.5 76145.749 30.22 10.59 0.227 0.077 4.5 0.191 0.243 1.01-.07-.08-.47 1.1 .66 .47 -0.420 3296 2448 2688 3265 27.8 50023.154 21.44 10.58 0.292 -0.034 4.3 0.248 0.306 1.13-.04-.07-.35 .78 .47 .35 -0.300 8639 5365 5847 8560 17.0 72301.664 27.01 10.59 0.305 -0.055 6.4 0.249 0.317 1.07-.02-.05-.23 .47 .29 .23 -0.180 28382 9376 10217 28236 6.8 156303.21 41.42 10.62 0.258 0.007 8.1 0.218 0.316 1.08-.00-.02-.11 .20 .12 .11 -0.060 52750 9837 10734 52564 4.2 190250.77 45.81 10.63 0.253 0.003 9.3 0.214 0.328 1.08 .00-.01-.01 .12 .09 .03 0.060 18000 8063 8688 17863 10.8 123520.19 38.75 10.61 0.308 -0.021 8.6 0.247 0.331 1.07 .00 .01 .11 .25 .16 .12 0.180 6770 4260 4582 6714 21.2 91149.892 34.85 10.59 0.312 0.004 6.5 0.235 0.316 1.05 .02 .02 .23 .48 .29 .23 0.300 2660 1976 2127 2628 34.8 74419.005 32.12 10.58 0.267 0.037 4.9 0.206 0.317 1.10 .05 .02 .35 .82 .43 .35 0.420 903 766 820 886 39.2 81290.116 32.35 10.58 0.229 0.075 4.3 0.198 0.250 0.84 .12 .01 .47 1.1 .58 .47 0.540 334 305 320 331 35.3 102249.05 28.51 10.59 0.217 0.048 6.6 0.200 0.242 0.79 .29 .04 .59 1.6 .77 .59 0.660 162 153 161 159 29.0 116238.46 27.49 10.57 0.200 0.058 4.3 0.179 0.266 0.94 .85-.21 .72 2.4 1.2 .72 0.780 75 68 72 75 29.3 151494.31 34.43 10.56 0.175 0.092 3.7 0.143 0.201 0.68 .93-.15 .83 2.5 1.5 .83 0.900 41 38 41 41 34.1 201603.59 54.47 10.58 0.240 0.095 6.6 0.215 0.135 0.39 .81-.65 .96 2.3 1.8 .96 1.020 20 19 20 20 50.0 26434.331 10.91 10.62 1.477 -0.882 8.9 1.106 0.914 1.28 .48-.24 1.1 2.9 2.6 1.1 1.140 13 12 13 12 53.8 52739.917 18.05 10.57 0.124 -0.052 1.6 0.104 0.433 1.43 1.1-1.3 1.2 2.8 2.5 1.2 1.260 20 19 20 19 45.0 7741.035 3.14 10.56 1.194 -0.958 3.6 1.087 0.584 0.75 .50-1.0 1.3 2.5 2.4 1.3 1.380 62 58 62 61 38.7 16403.598 6.32 10.58 0.654 -0.102 3.1 0.633 0.315 0.64 .20-.81 2.3 1.1 2.2 2.4 1.500 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 724 0 724 0 18.8 45193.811 20.25 10.49 0.000 0.000 0.0 0.000 0.000 0.00-.08-.04-.02 .93 .34 .28 1.000 1566 239 783 1566 19.0 44363.934 20.16 10.51 0.099 0.000 1.6 0.000 0.232 0.00-.17-.04-.09 .93 .35 .34 2.000 2730 757 910 2730 15.7 58063.065 23.84 10.51 0.139 -0.000 2.4 0.099 0.254 1.73-.16-.04-.09 .85 .38 .32 3.000 1708 317 427 1708 18.6 65477.088 25.27 10.51 0.227 0.000 3.2 0.155 0.485 1.97 .02-.00-.06 .97 .42 .29 4.000 2445 428 489 2445 18.0 63657.687 21.78 10.53 0.177 -0.000 2.8 0.145 0.256 1.31 .05-.01-.05 .85 .37 .30 5.000 2682 403 447 2682 15.1 67053.805 19.37 10.56 0.199 0.000 3.1 0.154 0.256 1.30 .15-.02-.04 .89 .41 .31 6.000 4326 569 618 4326 17.8 67731.476 20.11 10.57 0.218 0.000 3.2 0.173 0.288 1.19 .04-.02-.03 .72 .37 .25 7.000 5568 676 696 5568 15.8 75449.089 21.39 10.59 0.221 0.000 3.6 0.181 0.312 1.16 .02-.03-.02 .59 .35 .23 8.000 7596 822 844 7596 15.0 77179.401 22.54 10.59 0.235 -0.000 3.9 0.195 0.366 1.15-.01-.02-.03 .45 .31 .23 9.000 94889 6575 6771 94889 7.7 174996.88 46.65 10.63 0.271 0.000 9.7 0.226 0.388 1.05 .01-.01-.01 .18 .19 .16 10.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 124234 10786 12709 123510 9.7 149819.40 41.47 10.62 0.264 0.000 8.2 0.221 0.368 1.09 .00-.01-.02 .38 .24 .19 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 23355 1263 1295 23355 3.4 298078.13 81.30 10.70 0.293 -0.000 19.3 0.254 0.294 0.85-.01-.00 .00 .12 .10 .16 1.720 20933 1260 1294 20933 5.6 201613.96 49.30 10.64 0.268 0.000 9.9 0.215 0.430 1.15-.00-.01-.01 .14 .14 .15 1.366 17399 1265 1298 17399 7.0 135922.72 36.13 10.57 0.260 0.000 6.8 0.209 0.544 1.18 .04-.01-.02 .13 .17 .14 1.193 15465 1247 1293 15465 9.2 114266.16 30.33 10.61 0.246 0.000 5.3 0.200 0.446 1.15 .03-.01-.02 .16 .21 .15 1.084 13661 1238 1296 13661 14.0 82520.225 23.69 10.62 0.230 0.000 4.1 0.190 0.405 1.16-.02-.02-.02 .23 .25 .17 1.006 11885 1217 1298 11885 15.4 75269.229 22.07 10.61 0.228 -0.000 3.7 0.183 0.387 1.26-.02-.03-.02 .33 .28 .22 0.947 9814 1178 1279 9814 17.0 66799.316 19.24 10.57 0.215 -0.000 3.2 0.173 0.355 1.34 .01-.03-.03 .58 .36 .27 0.900 6169 1018 1284 6134 17.3 56864.273 18.46 10.53 0.176 0.000 2.6 0.136 0.270 1.58 .19-.03-.05 1.1 .46 .32 0.861 3539 741 1266 3339 16.6 53348.425 22.84 10.51 0.122 -0.000 2.1 0.093 0.237 1.97-.15-.02-.08 .71 .40 .29 0.827 2014 359 1106 1525 19.9 40501.591 18.73 10.47 0.115 0.000 1.7 0.084 0.255 2.29-.25-.03-.07 1.1 .39 .34 0.799 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 33516 4829 5700 33196 36.0 4699.018 3.16 10.59 0.789 -0.577 2.6 0.668 1.583 1.26 .01-.01-.01 .54 .33 .28 13070.312 13178 3270 3668 13085 0.1 19146.100 8.80 10.60 0.566 -0.390 4.9 0.468 0.896 1.29 .01-.01-.02 .44 .26 .20 26140.625 16242 3708 4127 16124 0.0 38034.848 14.00 10.60 0.441 -0.272 6.3 0.366 0.692 1.24 .00-.01-.02 .37 .24 .16 52281.250 18589 3852 4228 18485 0.0 75596.338 21.81 10.61 0.352 -0.173 8.1 0.291 0.528 1.14-.01-.02-.03 .31 .19 .13 104562.500 17570 3320 3591 17505 0.0 149140.84 32.89 10.62 0.281 -0.082 10.1 0.236 0.404 1.10-.00-.02-.03 .26 .17 .12 209125.000 13630 2326 2452 13610 0.0 294534.17 49.19 10.65 0.247 -0.024 13.2 0.206 0.339 1.07 .00-.02-.02 .20 .13 .13 418250.000 7752 1209 1253 7748 0.0 576112.92 73.66 10.68 0.229 0.049 18.5 0.194 0.298 1.04 .00-.02-.02 .15 .12 .12 836500.000 2987 453 464 2987 0.0 1126724.4 113.69 10.74 0.228 0.108 27.7 0.192 0.265 0.97 .00-.01-.00 .13 .10 .13 1673000.0 746 119 122 746 0.0 2164197.1 164.94 10.81 0.214 0.183 37.9 0.181 0.239 0.98-.00 .00 .02 .16 .08 .16 3346000.0 24 11 12 24 0.0 4120500.0 247.86 10.77 0.303 0.302 79.6 0.230 0.228 1.05 .13-.01 .05 .25 .12 .15 6692000.0 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 11379 2701 3097 11248100.0 1087.521 0.67 10.57 2.260 -2.621 2.1 1.890 2.754 1.26 .04-.00-.00 .73 .42 .34 1.872 7705 2636 2940 7647 9.2 4031.088 2.65 10.58 1.086 -0.802 2.1 0.912 1.239 1.26 .03-.01-.01 .59 .36 .29 3.503 12270 3381 3768 12178 0.0 8738.088 5.06 10.59 0.866 -0.676 3.3 0.715 1.179 1.35 .02-.01-.01 .50 .32 .25 6.557 18285 4389 4906 18148 0.0 22118.278 9.33 10.59 0.540 -0.370 4.5 0.449 0.791 1.30 .01-.01-.02 .39 .26 .19 12.272 23729 4883 5401 23581 0.0 55039.681 17.61 10.60 0.352 -0.174 6.3 0.295 0.510 1.16-.00-.01-.03 .28 .18 .13 22.969 26914 4497 4905 26790 0.0 143042.01 32.28 10.62 0.264 -0.060 9.1 0.223 0.373 1.13-.01-.02-.03 .21 .14 .12 42.990 16818 2442 2590 16786 0.0 362432.23 58.13 10.66 0.241 0.016 14.9 0.199 0.298 1.07-.01-.01-.02 .17 .11 .13 80.463 5870 832 853 5868 0.0 811883.24 105.34 10.74 0.241 0.069 26.5 0.202 0.262 0.98-.01-.01-.01 .13 .10 .13 150.600 1195 237 240 1195 0.0 1567444.8 184.74 10.79 0.218 0.144 40.9 0.193 0.224 0.84 .01-.01-.00 .13 .09 .17 281.872 69 39 39 69 0.0 2427159.4 332.75 10.78 0.260 0.248 87.5 0.206 0.219 0.78 .03-.03-.03 .16 .10 .18 527.570 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8459 5310 5655 8459 3.7 153521.91 39.96 10.60 0.015 0.001 0.4 0.112 0.268 1.02-.00-.02-.03 .37 .21 .19 0.030 8582 5440 5780 8582 3.4 150955.42 39.74 10.60 0.045 0.008 1.3 0.118 0.268 1.04-.01-.02-.03 .38 .22 .19 0.060 8367 5374 5665 8367 3.7 157199.26 40.66 10.61 0.075 0.019 2.1 0.119 0.267 1.04-.01-.01-.03 .37 .23 .18 0.090 8421 5451 5751 8421 3.5 160252.10 41.20 10.61 0.105 0.041 3.0 0.126 0.264 1.05-.00-.02-.02 .32 .22 .19 0.120 8428 5366 5671 8428 3.2 168516.05 42.89 10.62 0.135 0.059 4.0 0.132 0.268 1.07 .01-.02-.03 .35 .21 .18 0.150 8304 5361 5631 8304 3.6 182545.90 45.60 10.62 0.165 0.086 5.2 0.147 0.262 1.05 .00-.02-.02 .33 .24 .18 0.180 7961 5112 5380 7961 3.6 189513.29 47.35 10.63 0.195 0.108 6.3 0.157 0.256 1.03 .01-.01-.02 .32 .20 .18 0.210 7343 4894 5155 7343 4.1 195360.47 48.58 10.63 0.225 0.128 7.4 0.178 0.261 1.05 .01-.02-.02 .29 .19 .16 0.240 6777 4526 4777 6777 4.0 194458.05 48.73 10.64 0.255 0.148 8.3 0.190 0.263 1.05 .01-.01-.02 .36 .22 .17 0.270 6197 4241 4491 6197 4.3 192773.27 47.75 10.64 0.285 0.168 9.2 0.201 0.268 1.08 .02-.01-.02 .33 .22 .16 0.300 5403 3829 4041 5403 4.5 190000.50 47.38 10.64 0.314 0.184 9.9 0.227 0.272 1.10-.00-.02-.02 .31 .21 .17 0.330 4772 3519 3675 4772 4.7 190212.36 48.08 10.64 0.345 0.183 10.8 0.235 0.296 1.17 .01-.01-.01 .34 .20 .16 0.360 3879 2901 3042 3879 6.4 183141.68 47.35 10.64 0.374 0.176 11.1 0.264 0.295 1.13 .01-.01-.01 .37 .21 .16 0.390 2969 2400 2514 2969 8.2 143224.06 41.35 10.63 0.404 0.078 10.2 0.285 0.322 1.11-.00-.01-.02 .32 .22 .22 0.420 2310 1927 2034 2310 9.3 115619.62 36.15 10.63 0.434 -0.044 9.5 0.310 0.377 1.18 .01-.01-.02 .36 .20 .20 0.450 1935 1676 1755 1935 13.1 105347.66 35.31 10.62 0.464 -0.170 9.5 0.334 0.382 1.08 .02-.01-.02 .39 .27 .21 0.480 1641 1400 1489 1641 13.1 87813.256 30.54 10.62 0.495 -0.310 9.2 0.360 0.415 1.04-.00-.02-.01 .41 .31 .20 0.510 1462 1271 1353 1462 13.7 81877.508 30.03 10.62 0.523 -0.386 9.6 0.369 0.428 1.03 .01-.00-.02 .36 .20 .19 0.540 1284 1107 1182 1284 14.6 81285.466 29.97 10.61 0.554 -0.516 10.0 0.355 0.516 1.15 .02-.01-.01 .37 .29 .18 0.570 19016 7446 7906 19016 36.9 53649.648 22.20 10.60 1.353 -1.343 21.1 1.032 1.065 1.09 .02-.00-.01 .52 .33 .24 0.600 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 21715 8321 8850 21715 29.7 65153.468 25.28 10.60 1.118 -1.121 20.4 0.838 0.934 1.09 .02-.00-.01 .47 .31 .22 -0.460 1946 1697 1786 1946 7.2 102865.00 32.86 10.62 0.440 -0.440 9.9 0.289 0.487 1.20 .00-.01-.02 .37 .23 .18 -0.420 2137 1847 1944 2137 6.8 103976.04 32.52 10.62 0.400 -0.400 9.0 0.276 0.445 1.12 .00-.01-.01 .32 .21 .17 -0.380 2447 2071 2181 2447 5.7 111902.37 33.85 10.62 0.360 -0.360 8.4 0.260 0.409 1.07 .01-.01-.02 .38 .21 .16 -0.340 2620 2171 2301 2620 6.5 109465.94 32.90 10.62 0.320 -0.320 7.4 0.227 0.403 1.09 .00-.02-.02 .35 .21 .16 -0.300 2925 2396 2542 2925 5.5 113279.69 33.16 10.61 0.280 -0.280 6.6 0.203 0.381 1.08 .02-.01-.02 .40 .26 .17 -0.260 3276 2674 2826 3276 5.4 121643.04 34.82 10.61 0.239 -0.239 5.8 0.186 0.348 1.03 .02-.02-.01 .40 .26 .17 -0.220 3601 2905 3054 3601 5.5 122160.00 35.38 10.61 0.199 -0.199 4.9 0.168 0.330 1.03 .01-.01-.02 .32 .21 .20 -0.180 3929 3136 3306 3929 4.9 124905.95 35.67 10.60 0.160 -0.160 4.0 0.158 0.312 1.00 .01-.02-.01 .34 .24 .19 -0.140 4196 3277 3451 4196 4.4 128916.33 35.89 10.60 0.120 -0.120 3.0 0.134 0.286 0.95 .00-.02-.02 .36 .23 .20 -0.100 4741 3630 3840 4741 4.0 135307.16 37.07 10.60 0.080 -0.080 2.1 0.124 0.279 1.00-.01-.02-.03 .39 .25 .19 -0.060 5270 3854 4125 5270 3.7 140795.13 37.79 10.60 0.039 -0.039 1.1 0.118 0.261 0.97-.01-.01-.03 .37 .23 .20 -0.020 5630 3983 4211 5630 3.7 151601.41 39.75 10.60 0.010 0.000 0.3 0.111 0.263 1.02-.00-.02-.03 .37 .21 .19 0.020 6141 4213 4550 6141 3.3 162617.66 41.63 10.60 0.040 0.040 1.2 0.117 0.266 1.07-.01-.02-.03 .39 .21 .18 0.060 6448 4443 4708 6448 3.3 173577.41 42.93 10.61 0.081 0.081 2.4 0.118 0.258 1.08-.00-.01-.02 .33 .21 .18 0.100 7021 4693 4944 7021 3.0 186473.96 45.38 10.62 0.120 0.120 3.8 0.126 0.255 1.12 .00-.02-.03 .33 .21 .18 0.140 7185 4801 5026 7185 2.7 208662.92 49.32 10.63 0.160 0.160 5.5 0.140 0.247 1.10 .00-.02-.02 .33 .22 .17 0.180 6883 4551 4784 6883 2.8 225661.09 52.93 10.64 0.200 0.200 7.3 0.159 0.232 1.04 .01-.01-.02 .30 .19 .18 0.220 6146 4231 4449 6146 3.1 238625.57 55.30 10.65 0.240 0.240 9.0 0.181 0.233 1.07 .00-.02-.02 .27 .17 .15 0.260 5447 3802 4028 5447 3.7 232447.86 53.39 10.65 0.280 0.280 10.3 0.201 0.230 1.06 .01-.01-.02 .33 .20 .16 0.300 4492 3299 3469 4492 3.4 237499.01 54.18 10.65 0.319 0.319 11.7 0.226 0.236 1.12 .00-.02-.01 .32 .20 .17 0.340 3344 2559 2650 3344 4.8 247980.78 55.75 10.66 0.359 0.359 13.0 0.245 0.249 1.24 .01-.01-.01 .34 .20 .17 0.380 1983 1625 1694 1983 9.5 197170.43 51.25 10.65 0.396 0.396 11.8 0.287 0.223 1.09-.01-.01-.02 .30 .23 .24 0.420 1071 901 940 1071 14.2 134626.55 41.65 10.64 0.436 0.436 9.0 0.347 0.208 1.00 .01 .00-.02 .37 .20 .26 0.460 2916 1534 1668 2916 45.6 34341.520 17.26 10.60 0.509 0.509 3.4 0.456 0.139 0.63 .02-.01-.01 .62 .36 .30 0.500 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28836 8104 8917 28836 26.9 36873.802 16.04 10.59 0.030 0.001 0.5 0.118 0.264 1.06 .02-.01-.02 .53 .31 .27 1.000 19362 7726 8303 19362 13.5 53845.649 20.33 10.59 0.072 0.005 1.5 0.129 0.273 1.09 .00-.02-.02 .47 .29 .22 2.000 12588 6395 6780 12588 5.2 77092.391 24.95 10.60 0.099 0.013 2.5 0.131 0.269 1.08 .01-.02-.02 .37 .24 .18 3.000 8991 5201 5455 8991 2.4 99050.202 28.79 10.61 0.121 0.015 3.5 0.137 0.275 1.09 .01-.02-.02 .34 .20 .15 4.000 7072 4390 4593 7072 1.6 119688.10 32.00 10.62 0.140 0.024 4.5 0.140 0.272 1.09 .00-.02-.02 .26 .21 .15 5.000 5699 3701 3861 5699 1.4 136904.27 34.60 10.62 0.159 0.028 5.5 0.152 0.281 1.11 .00-.01-.02 .28 .16 .13 6.000 4723 3200 3315 4723 1.6 157241.99 37.33 10.62 0.174 0.029 6.5 0.156 0.286 1.11 .00-.02-.02 .22 .17 .13 7.000 3939 2749 2862 3939 1.3 171935.84 39.72 10.63 0.189 0.039 7.5 0.161 0.286 1.12-.00-.02-.02 .21 .18 .12 8.000 3457 2454 2540 3457 1.3 193074.07 41.87 10.63 0.203 0.039 8.5 0.169 0.296 1.13 .00-.01-.02 .20 .14 .12 9.000 2869 2135 2215 2869 2.0 215588.38 45.29 10.64 0.210 0.049 9.5 0.175 0.287 1.12-.00-.01-.02 .19 .15 .12 10.000 2444 1811 1877 2444 1.6 231337.48 47.29 10.64 0.222 0.051 10.5 0.179 0.283 1.08 .00-.01-.02 .25 .14 .12 11.000 2068 1562 1621 2068 1.8 250479.40 49.92 10.65 0.230 0.045 11.5 0.184 0.286 1.10-.00-.01-.02 .16 .12 .12 12.000 1863 1419 1468 1863 1.1 269213.37 51.94 10.66 0.241 0.062 12.5 0.182 0.283 1.06-.00-.01-.02 .19 .14 .12 13.000 1669 1287 1330 1669 1.4 293492.03 54.77 10.66 0.246 0.055 13.5 0.188 0.301 1.12 .00-.01-.02 .15 .14 .12 14.000 1447 1125 1170 1447 1.5 291059.73 54.80 10.66 0.264 0.049 14.5 0.197 0.299 1.09 .00-.01-.02 .15 .12 .12 15.000 1300 1039 1078 1300 2.0 310752.34 56.96 10.66 0.272 0.047 15.5 0.199 0.292 1.04 .01-.01-.02 .24 .13 .13 16.000 1174 940 971 1174 1.2 350818.07 62.11 10.67 0.265 0.055 16.5 0.195 0.298 1.09 .01-.01-.01 .27 .18 .13 17.000 1034 832 870 1034 1.3 376456.30 64.73 10.68 0.270 0.067 17.5 0.208 0.316 1.16 .00-.01-.01 .18 .12 .12 18.000 867 721 757 867 1.6 386519.64 65.73 10.67 0.281 0.051 18.5 0.211 0.299 1.08-.01-.01-.02 .16 .16 .12 19.000 840 702 724 840 0.8 402379.79 68.52 10.68 0.284 0.067 19.5 0.208 0.301 1.11-.01-.01-.02 .13 .11 .12 20.000 697 586 604 697 0.6 405137.36 69.26 10.68 0.296 0.069 20.5 0.212 0.291 1.05-.01-.01-.02 .15 .12 .12 21.000 720 611 626 720 0.7 438535.88 71.92 10.69 0.299 0.069 21.5 0.213 0.298 1.07-.00-.01-.01 .16 .13 .13 22.000 606 509 526 606 1.2 417728.46 71.17 10.68 0.316 0.064 22.5 0.227 0.308 1.09-.02-.01-.02 .16 .12 .12 23.000 603 521 537 603 0.8 488292.27 77.48 10.69 0.303 0.088 23.5 0.219 0.281 1.00-.01 .00-.01 .15 .10 .12 24.000 8642 2322 2374 8642 0.6 550880.33 95.19 10.68 0.500 -0.105 54.0 0.380 0.681 1.07-.01 .00-.01 .19 .21 .14 25.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 124234 10786 12709 123510 9.7 149819.40 41.47 10.62 0.264 0.000 8.2 0.221 0.368 1.09 .00-.01-.02 .38 .24 .19 1.000 Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Coverage Statistics Integration of rudi006 ...1.1(1): component 1 in sample 1 (component 1 in rudi006_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.720 1295 1295 100.00 18.03 0.293 1263 97.53 0.293 81.30 3.4 to 1.366 2589 2589 100.00 17.11 0.284 2523 97.45 0.268 49.30 5.6 to 1.193 3887 3887 100.00 15.87 0.279 3788 97.45 0.260 36.13 7.0 to 1.084 5180 5180 100.00 14.89 0.276 5035 97.20 0.246 30.33 9.2 to 1.006 6476 6476 100.00 14.02 0.272 6273 96.87 0.230 23.69 14.0 to 0.947 7774 7774 100.00 13.21 0.270 7490 96.35 0.228 22.07 15.4 to 0.900 9053 9053 100.00 12.43 0.268 8668 95.75 0.215 19.24 17.0 to 0.861 10337 10344 99.93 11.48 0.266 9686 93.64 0.176 18.46 17.3 to 0.827 11603 11639 99.69 10.53 0.265 10427 89.59 0.122 22.84 16.6 to 0.799 12709 12965 98.03 9.78 0.264 10786 83.19 0.115 18.73 19.9 Local LS refinement averages ============== 04/30/2026 15:09:01 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Local averages for component 1.1(1) (component 1 in sample 1, 1 in file) Number of local refinements averaged: 158 Averaged orientation ('UB') matrix: 0.0238084 0.0269135 0.0725315 -0.0351103 0.0439956 -0.0090217 -0.0674437 -0.0515818 -0.0172178 Weighted average cell constants: A B C Alpha Beta Gamma Vol 15.4395 15.9136 16.4105 106.008 114.914 105.671 3151.12 0.0001 0.0001 0.0001 0.000 0.000 0.000 0.06 Std deviations of the 158 input local LS results: 0.0111 0.0166 0.0133 0.051 0.042 0.035 7.34 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 13.7198 0.8000 6.442 148.988 Crystal system constraint: 1 (Triclinic) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.3776 -0.2801 -0.0082 -0.2572 -0.2082 0.4788 Unconstrained global unit cell refinement ============== 04/30/2026 15:09:01 Performing final unit cell least squares on file X:\rudi006\work\rudi006_01._ma Input file contains 80989 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 12 reflections will be stored in memory per 100 reflections read ................ Global Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (9719 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 0.500 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2800 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 9719 0 9719 13.7223 0.8001 6.441 148.960 Orientation ('UB') matrix: 0.0237592 0.0268341 0.0724371 -0.0350587 0.0439364 -0.0089753 -0.0674157 -0.0515768 -0.0172446 A B C Alpha Beta Gamma Vol 15.45165 15.92893 16.42521 105.9974 114.8967 105.7155 3159.02 0.00010 0.00010 0.00011 0.0002 0.0002 0.0002 0.03 Corrected for goodness of fit: 0.00052 0.00054 0.00056 0.0012 0.0010 0.0012 0.17 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -96.975 67.561 -66.368 Goniometer zeros (deg): 0.0000* -0.0372 0.0000* 0.0230 (*=never refined) Crystal translations (pixels): 0.0314 0.1427 -0.3171 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.5977 -0.2186 -0.0006 -0.2603 -0.1934 0.5070 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.82517e+06 8.09751e+05 5.30 2 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 9719 9719 9438 Average input ESD (pix, pix, deg): 0.21992 0.19110 0.05492 Goodness of fit: 5.16167 6.72778 3.42786 Highest-magnitude correlations: 1 0.66618 Z-Translation1 / Y-Center1 2 -0.47925 Gamma1 / Alpha1 New orientation is in X:\rudi006\work\rudi006_0u.p4p Constrained global unit cell refinement ================= 04/30/2026 15:09:02 Performing final unit cell least squares on file X:\rudi006\work\rudi006_01._ma Input file contains 80989 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 12 reflections will be stored in memory per 100 reflections read ................ Global Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (9719 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 0.500 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2800 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 9719 0 9719 13.7223 0.8001 6.441 148.960 Orientation ('UB') matrix: 0.0237592 0.0268341 0.0724371 -0.0350587 0.0439364 -0.0089753 -0.0674157 -0.0515768 -0.0172446 A B C Alpha Beta Gamma Vol 15.45165 15.92893 16.42521 105.9974 114.8967 105.7155 3159.02 0.00010 0.00010 0.00011 0.0002 0.0002 0.0002 0.03 Corrected for goodness of fit: 0.00052 0.00054 0.00056 0.0012 0.0010 0.0012 0.17 Crystal system constraint: 1 (Triclinic) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -96.975 67.561 -66.368 Goniometer zeros (deg): 0.0000* -0.0372 0.0000* 0.0230 (*=never refined) Crystal translations (pixels): 0.0314 0.1427 -0.3171 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.5977 -0.2186 -0.0006 -0.2603 -0.1934 0.5070 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.09751e+05 8.09751e+05 5.30 0 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 9719 9719 9438 Average input ESD (pix, pix, deg): 0.21992 0.19110 0.05492 Goodness of fit: 5.16167 6.72778 3.42786 Highest-magnitude correlations: 1 0.66618 Z-Translation1 / Y-Center1 2 -0.47925 Gamma1 / Alpha1 New orientation is in X:\rudi006\work\rudi006_0m.p4p End global unit cell refinement ========================= 04/30/2026 15:09:02