COMM La2CuO4 ! Files => DAT-file: , PCR-file: La2CuO4 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut 0 5 1 77 0 0 1 1 0 0 1 0 0 0 0 0 0 1 0 ! !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 0 0 1 0 4 0 0 3 0 0 0 1 0 0 0 ! ! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz ->Patt# 1 1.540530 1.544310 0.5000 40.000 7.0000 0.0000 0.0000 30.00 0.0000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 30 0.30 1.00 1.00 1.00 1.00 9.0000 0.020000 135.0000 0.000 0.000 ! !2Theta/TOF/E(Kev) Background for Pattern# 1 10.240 305.333 0.000 11.220 287.667 0.000 12.540 270.000 0.000 14.560 257.667 0.000 16.500 262.667 0.000 18.360 226.000 0.000 19.220 222.333 0.000 20.640 233.000 0.000 22.500 227.333 0.000 23.380 250.333 0.000 26.040 226.667 0.000 27.840 237.667 0.000 28.480 227.667 0.000 29.940 234.000 0.000 32.320 252.000 0.000 34.420 226.000 0.000 34.980 215.333 0.000 36.620 217.000 0.000 38.100 216.000 0.000 39.440 225.333 0.000 42.380 253.667 0.000 42.560 224.667 0.000 44.420 229.667 0.000 45.940 221.333 0.000 48.860 224.333 0.000 49.200 232.667 0.000 51.720 213.333 0.000 52.480 210.333 0.000 55.080 246.333 0.000 56.580 219.000 0.000 57.100 226.000 0.000 59.840 233.000 0.000 60.800 201.000 0.000 61.960 216.333 0.000 64.360 222.333 0.000 66.080 248.333 0.000 67.360 221.667 0.000 68.060 221.000 0.000 71.200 230.333 0.000 72.700 215.000 0.000 73.500 209.667 0.000 74.420 218.333 0.000 77.440 227.000 0.000 77.660 223.333 0.000 80.620 228.333 0.000 82.260 229.333 0.000 82.580 227.333 0.000 85.480 247.000 0.000 86.860 221.667 0.000 87.380 212.000 0.000 90.180 200.333 0.000 91.840 229.333 0.000 92.160 208.667 0.000 94.860 267.000 0.000 96.600 232.000 0.000 97.500 276.000 0.000 99.580 225.333 0.000 99.960 212.333 0.000 101.780 229.000 0.000 106.280 209.333 0.000 106.580 212.667 0.000 109.280 233.333 0.000 110.860 248.000 0.000 112.220 223.667 0.000 112.760 242.667 0.000 115.860 244.333 0.000 116.380 257.333 0.000 118.680 242.667 0.000 119.520 255.000 0.000 122.220 229.000 0.000 122.440 233.667 0.000 126.560 250.000 0.000 127.740 241.333 0.000 130.100 258.333 0.000 131.720 260.000 0.000 133.200 266.000 0.000 134.640 244.667 0.000 ! ! 0 !Number of refined parameters ! ! Zero Code SyCos Code SySin Code Lambda Code MORE ->Patt# 1 -0.04061 71.0 0.00000 0.0 0.00000 0.0 0.000000 0.00 0 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg for Pattern# 1: 0.00 !------------------------------------------------------------------------------- phase 1: ! !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 0 0 0 0.0 0.0 1.0 2 0 0 0 0 0.000 0 5 0 ! F M M M <--Space group symbol !-------> Profile Parameters for Pattern # 1 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.10000E-03 -0.27166 0.00000 0.00000 0.00000 0.00000 0 0.00000 21.000 0.000 0.000 0.000 0.000 ! U V W X Y GauSiz LorSiz Size-Model 0.036529 -0.011380 0.052211 0.016628 0.000000 -0.033184 0.000000 0 101.000 91.000 81.000 0.000 0.000 0.000 0.000 ! a b c alpha beta gamma #Cell Info 5.354731 5.398407 13.152112 90.000000 90.000000 90.000000 11.00000 51.00000 61.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 1.00000 0.00000 0.13066 0.04312 -0.03565 0.02851 0.00 0.00 41.00 31.00 0.00 0.00 ! 2Th1/TOF1 2Th2/TOF2 Pattern # 1 9.000 135.000 1