COMM Fluorite - IUCr CPD Round Robin, et.al- Philips XRD ! Files => DAT-file: fl-leb, PCR-file: fl-leb !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor 0 5 1 10 2 0 1 1 0 0 1 0 0 1 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 90.00 0.5000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 20 0.01 0.20 0.20 0.20 0.20 5.0000 0.0200 150.0000 0.000 0.000 ! ! 2Theta/TOF Background 5.000 135.329 9.062 73.022 16.484 30.494 25.078 21.593 37.187 14.670 63.359 8.736 83.085 11.703 120.390 11.703 131.267 13.956 150.000 15.934 ! ! Excluded regions (LowT HighT) 5.00 10.00 141.00 142.00 ! ! 0 !Number of refined parameters ! ! Zero Code Sycos Code Sysin Code Lambda Code MORE -0.0138 11.00 0.0000 0.00 0.0000 0.00 0.000000 0.00 0 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg: 1.46 !------------------------------------------------------------------------------- Fluorite ! !Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 0 0 0 1.0 0.0 0.0 2 0 0 0 0 0.00 0 5 0 ! F M 3 M < <--Space group symbol ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.10000E-01 0.5195 0.0000 0.0000 0.0000 0.0000 0 0.00000 41.00 0.00 0.00 0.00 0.00 ! U V W X Y GauSiz LorSiz Size-Model 0.02064 -0.00685 0.01231 0.00000 0.00000 0.00000 0.00000 0 61.00 51.00 31.00 0.00 0.00 0.00 0.00 ! a b c alpha beta gamma 5.462362 5.462362 5.462362 90.000000 90.000000 90.000000 21.00000 21.00000 21.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 1.00000 0.00000 0.05648 0.04198 0.00000 0.00000 0.00 0.00 71.00 81.00 0.00 0.00 ! Hard limits for selected parameters: 1 -0.2000 0.2000