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[求助] fullprof 帮忙看一下我的pcr有什么问题吗已有1人参与

一点run fullprof program就会出现 no reflections found->check your input data,实在不清楚怎么回事呢

COMM #?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
! Files => DAT-file: C:UsersdellDesktopfullprof778328,  PCR-file: C:UsersdellDesktopfullprof778328
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
0 5 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1
!
!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 0 0 0 0 0
!
! lambda1 Lambda2 Ratio Bkpos Wdt Cthm    muR AsyLim Rpolarz ->Patt# 1
1.540530 1.544310  0.5000 40.000  8.0000  0.9100  0.0000 0.00 0.0000
!
!NCY  Eps  R_at  R_an  R_pr  R_gl    Thmin    Step    Thmax PSD Sent0
10  0.10  1.00  1.00  1.00  1.00    1.0000 0.020000 150.0000 0.000 0.000
!
!
   0 !Number of refined parameters
!
!  Zero Code SyCos Code SySin Code  Lambda    Code MORE ->Patt# 1
  0.00000 0.00  0.00000 0.00  0.00000 0.00 0.000000 0.00 0
! Background coefficients/codes  for Pattern#  1
  0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
   0.000    0.000    0.000    0.000    0.000    0.000
!-------------------------------------------------------------------------------
!-------------------------------------------------------------------------------
#?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
!
!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth    ATZ Nvk Npr More
9 0 0 0.0 0.0 0.0 0 0 0 0 0       0.000 0 5 0
!
C 1 2/M 1             <--Space group symbol
!Atom Typ    X       Y       Z    Biso    Occ    In Fin N_t Spc /Codes
Mn1  Mn    0.00000  0.19400  0.50000  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
Mn2  Mn    0.79500  0.00000  0.13500  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
Mo1  Mo    0.00000  0.24900  0.00000  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
Mo2  Mo    0.26900  0.00000  0.40000  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
O1 O    0.35500  0.50000  0.46300  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
O2 O    0.20100  0.00000  0.15400  0.00000 0.50000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
O3 O    0.12900  0.36000  0.10100  0.00000 1.00000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
O4 O    0.46100  0.35500  0.19300  0.00000 1.00000 0 0 0 0
            0.00    0.00    0.00    0.00    0.00
O5 O    0.36700  0.14900  0.47200  0.00000 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
0.10000E-02 0.00000 0.00000 0.00000 0.00000 0.00000    0
   0.00000    0.000    0.000    0.000    0.000    0.000
!    U       V       W          X       Y       GauSiz LorSiz Size-Model
0.004133  -0.007618 0.006255 0.018961 0.000000 0.000000 0.000000 0
   0.000    0.000    0.000    0.000    0.000    0.000    0.000
!    a       b       c       alpha    beta    gamma    #Cell Info
  10.491100 9.529700 7.157400  90.000000 106.333000  90.000000
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
!  Pref1 Pref2    Asy1    Asy2    Asy3    Asy4
  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
   0.00    0.00    0.00    0.00    0.00    0.00
!  2Th1/TOF1 2Th2/TOF2  Pattern # 1
   0.000    0.000@lich666

[ Last edited by linhua0402313 on 2016-10-25 at 14:55 ]

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