| COMM NANORODS |
| ! Current global Chi2 (Bragg contrib.) = 1.356 |
| ! Files => DAT-file: t2, PCR-file: t2 |
| !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut |
| 0 7 1 0 1 0 1 0 0 0 1 4 0 0 0 0 0 0 1 |
| ! |
| ! Resolution file for Pattern# 1 |
| Siw1_XPert.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 3 10 0 1 1 0 0 1 |
| ! |
| ! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz ->Patt# 1 |
| 1.540560 1.544390 0.4729 20.000 5.5000 0.7998 0.0000 95.00 0.0000 |
| ! |
| !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 |
| 50 0.25 0.95 0.95 0.95 0.95 25.1300 0.020006 94.9900 0.000 0.000 |
| ! |
| ! Excluded regions (LowT HighT) for Pattern# 1 |
| 75.00 95.00 |
| ! |
| ! |
| 15 !Number of refined parameters |
| ! |
| ! Zero Code SyCos Code SySin Code Lambda Code MORE ->Patt# 1 |
| 0.18066 61.0 −0.10181 0.0 −0.00081 0.0 0.000000 0.00 0 |
| ! Background coefficients/codes for Pattern# 1 |
| 723.16 −855.28 453.03 −79.863 0.0000 0.0000 |
| 21.000 31.000 41.000 51.000 0.000 0.000 |
| !- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - |
| ! Data for PHASE number: 1 ==> Current R_Bragg for Pattern# 1: 3.02 |
| !- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - |
| Zincite ZnO |
| ! |
| !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More |
| 2 0 0 1.0 0.0 1.0 0 2 0 0 0 162.760 0 7 1 |
| ! |
| !Jvi Jdi Hel Sol Mom Ter Brind RMua RMub RMuc Jtyp Nsp_Ref Ph_Shift N_Domains |
| 5 0 0 0 0 0 1.0000 0.000 0.0000 0.0000 0 0 0 0 |
| ! |
| P 63 m c <- -Space group symbol |
| !Atom Typ X Y Z Biso Occ In Fin N_t Spc /Codes |
| Zn1 Zn 0.33333 0.66667 0.00000 0.00000 2.00000 0 0 0 0 |
| 0.00 0.00 0.00 0.00 0.00 |
| O1 O 0.33333 0.66667 0.37358 0.00000 2.00000 0 0 0 0 |
| 0.00 0.00 121.00 0.00 0.00 |
| !- - - -> Profile Parameters for Pattern # 1 |
| ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model |
| 0.84699E-04 0.00000 1.55472 0.00000 0.00000 0.00000 0 |
| 11.00000 0.000 151.000 0.000 0.000 0.000 |
| ! U V W X Y GauSiz LorSiz Size-Model |
| 0.000000 0.000000 0.000000 0.000000 0.016111 0.000000 0.560394 −1 |
| 0.000 0.000 0.000 0.000 141.000 0.000 131.000 |
| ! a b c alpha beta gamma #Cell Info |
| 3.251389 3.251389 5.209196 90.000000 90.000000 120.000000 |
| 71.00000 71.00000 81.00000 0.00000 0.00000 71.00000 |
| ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 S_L D_L |
| 0.92047 0.00000 −0.11362 −0.02108 0.00000 0.00000 0.05815 0.01090 |
| 91.00 0.00 101.00 111.00 0.00 0.00 0.00 0.00 |
| 0.0000 0.0000 2.0000 Platelet-Needle vector (Size) |
| ! 2Th1/TOF1 2Th2/TOF2 Pattern # 1 |
| 25.130 75.000 1 |
