-----------------------STRATEGY: used parameters---------------------------------- CrysAlis 39.29c (release 19-06-2017) (compiled Jun 19 2017,17:34:23) Res: 0.600, Laue group: 1, Friedel couples equivalent: TRUE,absence type: P DD: 53.00, strategy mode: 100% complete redundant data, wanted redundancy: 3.30, wanted total time (min) 0 phi scan: FALSE,phi scan only: FALSE, kappa ranges: symmetric kappa ranges Use axes: no axes,executing mode: AUTO, compl limit 100.00, cover limit 0.00, beam stop used: TRUE, refl radius: 5 scan width: 1.00, exposure time (sec): 2.06 e1: 0.95, e2: 1.40, e3: 1.55, scaled UB: FALSE Minimal scan range 25.0, scan gap 5.0, Several seed TRUE, #seeds: 10 , new shrink alg: TRUE Strategy3D: TRUE, #seed: 10, combination instead of seed algorithm FALSE Strategy4: FALSE, with multithreading: TRUE Jet shadow: FALSE ---------------------------------------------------------------------------------- "strategy, constraint" mat UB -0.104160 -0.015332 0.049802 0.087412 -0.166882 0.063604 0.055227 -0.024260 0.122680 UM S -1.0415975E-001 -1.5331659E-002 4.9801747E-002 8.7411979E-002 -1.6688158E-001 6.3603911E-002 5.5226856E-002 -2.4260092E-002 1.2267972E-001 "strategy, constraint" direct lattice (a, b, c) = (5.915, 5.923, 5.913), (alpha, beta, gamma) = (59.955, 89.895, 59.996) dd: 53.00 detector rims: for theta 30.79:(9,9) (128,9) (256,9) (384,9) (500,12) (502,256) (500,500) (384,503) (256,503) (128,503) (11,503) (6,256) for theta -30.79:(12,12) (128,9) (256,9) (384,9) (503,9) (506,256) (503,503) (384,503) (256,503) (128,503) (14,500) (10,256) SETTING GENERATION MODULE (access): number of settings from "axis first" algorithm: 0 number of fixed omega settings: 96 number of fixed phi settings: 0 number of appended settings: 0 number of generated settings: 96 RIGAKU OXFORD DIFFRACTION: STRATEGY3D - Fast strategy module - 2008-2017 (version: 3.1) # accessible uniques 1370/1370, possible completeness: 100.00% # accessible P1s 2739/2740, possible coverage: 99.96% # seeds in decision tree: 96 # kappa constr seeds in decision tree: 24 # axis seeds in decision tree: 0 DECISION TREE: run stype omega theta kappa phi sstart send range axis exp time 1 O 0.00 -30.79 -77.00 -150.00 -107.00 2.00 109.00 --- 2.06 2 O 0.00 30.79 -57.00 60.00 -41.00 59.00 100.00 --- 2.06 3 O 0.00 30.79 -57.00 -60.00 -41.00 59.00 100.00 --- 2.06 4 O 0.00 30.79 77.00 150.00 -2.00 107.00 109.00 --- 2.06 5 O 0.00 30.79 57.00 90.00 3.00 103.00 100.00 --- 2.06 6 O 0.00 -30.79 -77.00 -120.00 -107.00 2.00 109.00 --- 2.06 6 runs, 627.00 deg IMPROVED DECISION TREE: (runs after optimization shrink) run stype omega theta kappa phi sstart send range axis exp time 1 O 0.00 -30.79 -77.00 -120.00 -100.00 -3.00 97.00 --- 2.06 2 O 0.00 -30.79 -77.00 -150.00 -106.00 -79.00 27.00 --- 2.06 3 O 0.00 -30.79 -77.00 -150.00 -53.00 -24.00 29.00 --- 2.06 4 O 0.00 30.79 -57.00 -60.00 -35.00 59.00 94.00 --- 2.06 5 O 0.00 30.79 57.00 90.00 11.00 103.00 92.00 --- 2.06 6 O 0.00 30.79 77.00 150.00 1.00 87.00 86.00 --- 2.06 6 runs, 425.00 deg ------------REDUNDANCY ALG STARTED-------------- 6 runs, 425 deg Limits: redundancy: 3.30, coverage: 0.00% redundancy: 1.66, coverage: 60.58% Extended run list to reach redundancy/coverage threshold run stype omega theta kappa phi sstart send range axis exp time 1 O 0.00 -30.79 -77.00 -120.00 -107.00 2.00 109.00 --- 2.06 2 O 0.00 -30.79 -77.00 -150.00 -107.00 2.00 109.00 --- 2.06 3 O 0.00 30.79 -57.00 -60.00 -41.00 59.00 100.00 --- 2.06 4 O 0.00 30.79 57.00 90.00 3.00 103.00 100.00 --- 2.06 5 O 0.00 30.79 77.00 150.00 -2.00 107.00 109.00 --- 2.06 6 O 0.00 30.79 57.00 0.00 3.00 103.00 100.00 --- 2.06 7 O 0.00 30.79 -57.00 -150.00 -41.00 53.00 94.00 --- 2.06 8 O 0.00 30.79 -57.00 120.00 -41.00 59.00 100.00 --- 2.06 8 runs, 821 deg redundancy: 3.30, coverage: 93.72% ------------REDUNDANCY ALG ENDED-------------- TIME PREDICTION INFO: Time prediction based on reflections generated by planned run list and intensity analysis done in pre-exp. Avg exp time: 2.06, I/sigma target: 15.78, merged I/sigma: 29.14 -----------------------COVERAGE: used parameters------------------------------------- CrysAlis 39.29c (release 19-06-2017) (compiled Jun 19 2017,17:34:22) Res: 0.600, Laue group: 1, Friedel couples equivalent: TRUE, absence type: P only completeness: FALSE, DD: 53.00, exp time: 2.06, scan width: 1.00, skip correlation: FALSE executing mode: AUTO, plateau alg: FALSE, beam stop used: TRUE, refl radius: 5 UB factor: 1.000 mat UB: -0.104160 -0.015332 0.049802 0.087412 -0.166882 0.063604 0.055227 -0.024260 0.122680 direct lattice (a, b, c) = (5.915, 5.923, 5.913), (alpha, beta, gamma) = (59.955, 89.895, 59.996) ------------------------------------------------------------------------------------- RIGAKU OXFORD DIFFRACTION COVERAGE - STATISTICS MODULE (coverage, completeness, redundancy) - 2005-2017 (version: 1.30) hklmax 9 9 9 completeness table (Laue group: P1, Friedel couples are equivalent) range data theory redun '%' total 5.92 - 1.32 137 137 4.50 100.00 617 1.32 - 1.02 137 137 4.19 100.00 574 1.02 - 0.91 137 137 3.92 100.00 537 0.91 - 0.82 137 137 3.65 100.00 500 0.82 - 0.76 137 137 3.31 100.00 454 0.76 - 0.72 137 137 3.04 100.00 416 0.72 - 0.68 137 137 2.80 100.00 384 0.68 - 0.65 137 137 2.75 100.00 377 0.65 - 0.63 137 137 2.49 100.00 341 0.63 - 0.60 137 137 2.40 100.00 329 --------------------------------------------------------------- 5.92 - 0.60 1370 1370 3.31 100.00 4529 coverage table (Laue group: P1, Friedel couples are not equivalent) range data theory redun '%' total 5.92 - 1.32 260 274 2.37 94.89 617 1.32 - 1.02 270 274 2.13 98.54 574 1.02 - 0.91 270 274 1.99 98.54 537 0.91 - 0.82 268 274 1.87 97.81 500 0.82 - 0.76 263 274 1.73 95.99 454 0.76 - 0.72 258 274 1.61 94.16 416 0.72 - 0.68 248 274 1.55 90.51 384 0.68 - 0.65 251 274 1.50 91.61 377 0.65 - 0.63 241 274 1.41 87.96 341 0.63 - 0.60 239 274 1.38 87.23 329 --------------------------------------------------------------- 5.92 - 0.60 2568 2740 1.76 93.72 4529 TIME PREDICTION INFO: Time prediction based on reflections generated by planned run list and intensity analysis done in pre-exp. Avg exp time: 2.06, I/sigma target: 15.78, merged I/sigma: 29.14 STRATEGY DETAILS: theta settings: 2, abs minimum theta: 30.79, abs maximum theta: 30.79, max resolution: 0.575