COMM cu-fe ! Files => DAT-file: , PCR-file: D:\New Projects2\15-Rietveld-Khalili-SUB\files for send\1-powder diffraction\CIF\Cu-Fe-1 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut 0 7 2 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 1 ! ! Resolution file for Pattern# 1 D:\New Projects2\15-Rietveld-Khalili-SUB\Cu-Fe\9-1\Al2O3.IRF !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 1 0 1 0 4 0 0 1 0 0 0 0 0 0 0 ! ! Lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz 2nd-muR -> Patt# 1 1.789190 1.793210 0.50000 40.000 8.0000 0.9100 0.0000 0.00 0.0000 0.0000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 2 0.10 0.20 0.20 0.20 0.20 40.0100 0.020000 150.0000 0.000 0.000 ! ! 16 !Number of refined parameters ! ! Zero Code SyCos Code SySin Code Lambda Code MORE ->Patt# 1 0.02371 61.0 -0.03398 0.0 -0.00504 0.0 0.000000 0.00 0 ! Background coefficients/codes for Pattern# 1 (Polynomial of 6th degree) 2987.924 3308.319 -1202.102 677.828 -159.945 0.000 41.00 11.00 51.00 81.00 0.00 0.00 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg for Pattern# 1: 0.00 !------------------------------------------------------------------------------- ! !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 1 0 0 0.0 0.0 1.0 0 0 0 1 0 585639.938 0 7 0 ! F m -3 m <--Space group symbol !Atom Typ X Y Z Biso Occ In Fin N_t Spc /Codes cu cu 0.00000 0.00000 0.00000 1.00000 0.99903 0 0 0 0 0.00 0.00 0.00 0.00 0.00 !-------> Profile Parameters for Pattern # 1 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.20392E-04 0.00000 -2.99825 0.00000 0.00000 0.00000 14 31.00000 0.000 101.000 0.000 0.000 0.000 ! U V W X Y GauSiz LorSiz Size-Model 0.560734 0.000000 0.000000 0.000072 0.028704 -0.081089 0.000000 22 0.000 0.000 0.000 0.000 0.000 0.000 0.000 ! a b c alpha beta gamma #Cell Info 3.620533 3.620533 3.620533 90.000000 90.000000 90.000000 71.00000 71.00000 71.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 S_L D_L 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ! Y00 Y20 Y21+ Y21- Y22+ Y22- 5.739789 -1.269244 -0.055856 0.048350 1.112778 -0.289184 0.00 0.00 0.00 0.00 0.00 0.00 ! S_400 S_220 17.034554 -4.382910 0.00 131.00 ! Lorentzian strain coeff.+ code 1.42122 111.00000 !------------------------------------------------------------------------------- ! Data for PHASE number: 2 ==> Current R_Bragg for Pattern# 1: 0.00 !------------------------------------------------------------------------------- fe ! !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 1 0 0 0.0 0.0 1.0 0 0 0 1 0 257342.969 0 7 0 ! I m -3 m <--Space group symbol !Atom Typ X Y Z Biso Occ In Fin N_t Spc /Codes fe fe 0.00000 0.00000 0.00000 1.00000 1.00000 0 0 0 0 0.00 0.00 0.00 0.00 0.00 !-------> Profile Parameters for Pattern # 1 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.70469E-04 0.00000 -2.33029 0.00000 0.00000 0.00000 14 21.00000 0.000 91.000 0.000 0.000 0.000 ! U V W X Y GauSiz LorSiz Size-Model 2.365993 0.000000 0.000000 0.074868 1.045308 -0.099172 0.000000 22 0.000 0.000 0.000 0.000 0.000 0.000 0.000 ! a b c alpha beta gamma #Cell Info 2.872370 2.872370 2.872370 90.000000 90.000000 90.000000 161.00000 161.00000 161.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 S_L D_L 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ! Y00 Y20 Y21+ Y21- Y22+ Y22- -0.804472 0.052345 -1.103448 -0.171482 12.843131 -0.879266 121.00 0.00 0.00 0.00 0.00 0.00 ! S_400 S_220 18.830292 2.715400 0.00 141.00 ! Lorentzian strain coeff.+ code 0.74466 151.00000 ! 2Th1/TOF1 2Th2/TOF2 Pattern # 1 40.010 119.990 1