COMM Co etc Siemens 2 Zhu3 P21/M ! Files => DAT-file: zhu3, PCR-file: zhu3 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor 0 5 1 14 2 0 1 1 0 0 1 0 0 0 0 0 0 ! !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 1 0 1 0 0 0 1 1 0 1 0 1 2 0 0 ! ! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz 1.540560 1.544390 0.5000 90.0000 12.0000 0.7998 0.0000 80.00 0.0000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 40 0.01 0.20 0.20 0.20 0.80 10.0000 0.0200 119.6800 0.000 0.000 ! ! 2Theta/TOF Background 10.000 1508.040 10.540 1343.950 10.920 1236.930 14.180 1089.980 16.920 903.780 20.200 711.150 29.300 609.170 39.140 589.870 48.420 535.660 60.440 489.290 87.580 303.790 98.500 306.660 107.980 318.060 118.720 332.330 ! ! Excluded regions (LowT HighT) 1.00 10.00 119.68 170.00 ! ! 10 !Number of refined parameters ! ! Zero Code Sycos Code Sysin Code Lambda Code MORE -0.0400 11.00 0.0000 0.00 0.0000 0.00 0.000000 0.00 0 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg: 1.14 !------------------------------------------------------------------------------- Co ..; Number 2, Zhu ! !Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 0 0 0 0.0 0.0 1.0 2 2 0 0 0 0.00 0 5 0 ! P 21/M <--Space group symbol ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.10000E-01 0.3229 0.0000 0.0000 0.0000 0.0000 0 0.00000 21.00 0.00 0.00 0.00 0.00 ! U V W X Y GauSiz LorSiz Size-Model 0.25000 -0.24893 0.12038 0.00000 0.00000 0.00000 0.00000 0 0.00 41.00 31.00 0.00 0.00 0.00 0.00 ! a b c alpha beta gamma 7.668152 9.628701 7.081139 90.000000 106.238403 90.000000 51.00000 61.00000 71.00000 0.00000 81.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 1.00000 0.00000 0.12014 0.04307 0.00000 0.00000 0.00 0.00 91.00 101.00 0.00 0.00