line
1 : |
Comment |
2: |
Job Npr Nph Nba Nex Nsc Nor Dum
Iwg Ilo Ias Res Ste Nre Cry Uni Cor |
2_1: |
Resolution file |
3: |
Ipr
Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana |
4: |
lambda1 lambda2 Ratio Bkpos
Wdt Cthm muR AsyLim Rpolarz |
T.O.F.: |
Bkpos Wdt Iabscor |
5: |
NCY
Eps R-at R-an R-pr R-gl
Thmin Step Thmax PSD Sent0 |
6: |
2Theta/TOF Background |
7: |
Excluded
regions (LowT HighT) |
8: |
Additional scattering factors |
8_1: |
Additional scattering factors (nam,Dfp,dfpp,itym) |
8_2: |
Additional scattering factors (A1,B1,A2,B2,A3,B3,A4,B4,C) |
9: |
Number
of refined parameters |
10:Global Parameters |
10_1: |
Zero
Code
Sycos Code
Sysin Code
Lambda Code
MORE |
10_1-1: |
P0 Cod_P0 Cp Cod_Cp Tau Cod_Tau
|
10_1(bis): |
Zero
Code Dtt1 Code
Dtt2 Code
2sinThet |
10_2: |
Background coefficients/codes
|
10_3: |
Background Tranf_coefficients/codes
Additional background coefficients/codes
|
10_4: |
Window
for Fourier filtering
|
11: |
Data for PHASE
number: n ==> Current R_Bragg: Rb
Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More
Jvi Jdi Hel Sol Mom Ter Brind RMua RMub RMuc Jtyp
<-- Space group
symbol
Time Reversal
Operations on Crystal Space Group
Nsym Cen Laue
MagMat
|
11-3-2: |
S11 S12
S13 T1 S21 S22 S23 T2 S31 S32 S33 T3
M11 M12 M13 M21 M22 M23 M31 M32 M33
Ph
|
11-4: |
Atom Typ X Y Z
Biso Occ In Fin N_t /Codes
Atom Typ p1 p2
p3 p4 p5 p6 p7 p8 p9 p10 p11 p12 p13 p14 p15 p16
Atom Typ Mag Vek
X Y Z Biso Occ Rx Ry Rz
Ix Iy Iz beta11 beta22 beta33 MagPh
Atom Typ Mag Vek
X Y Z Biso Occ Mom beta Phase
Phi & Theta of Cone-axis + unused params
beta11 beta22
beta33 beta12 beta13 beta23 /Codes
|
11-5-1: |
Scale
Shape1 Bov Str1 Str2 Str3 Strain-Model
Sc1 Sc2
Sc3 Sc4 Sc5 Sc6
U V
W X Y GauSiz LorSiz Size-Model
Ur Vr
Wr Etar0 Xr
Ext1 Ext2
Ext3 Ext4 Ext5 Ext6 Ext7
a b
c alpha beta gamma
Pref1 Pref2
Asy1 Asy2 Asy3 Asy4
Additional Shape
parameters
Additional U,V,W
parameters for Lambda2
AsyP Shift1
Shift2 ModA ModS
|
11-5-1bis: |
TIME OF FLIGHT
INPUT
Scale Extinct
Bov Str1 Str2 Str3 Strain-Model
Sig2 Sig1
Sig0 Xt Yt Z1 Z0 IsizeModel
Gam2 Gam1
Gam0 LStr LSiz
a b c
alpha beta gamma
Pref1 Pref2
alph0 beta0 alph1 beta1
Absorption
Correction Parameters
AsyP Shift1
Shift2 ModA ModS
|
11-10-2: |
5
additional strain parameters
|
11-11: |
Propagation vectors:
|
11-12: |
Further parameters:
|
11-13: |
Additional strain parameters:
|
11-14: |
Generalized strain parameters:
|
11-15: |
Soft distance constraints:
|
11-16: |
Soft
moment constraints:
|
12-1: |
Hard
limits for selected parameters:
|
12-1: |
Nconfg Nsolu Num_Ref Nscalef
|
13: |
Iscale Idif
|
14: |
2Th1
2Th2
|