・ 安定性が高い。
・ アルゴリズムがFullprofに似ているため、Fullprofの初期値として使用できる。
□ Install
Youtube: https://www.youtube.com/watch?v=BZuRIw1tpxQ
■ Fullprof (フランス語圏{ベルギー}の方に聞いたらこちらを使われていた)
・ パラメータが発散しやすい。発散すると解析を最初からやり直すことになることが多い
・ Dicvol用のファイルが作成可能
・ 未知構造解析が可能
・ Superflipも可能
・ 磁気構造解析が可能
http://nc-imr.imr.tohoku.ac.jp/HERMES/index.html から http://nc-imr.imr.tohoku.ac.jp/HERMES/Analysis/FullProf.html の記事を参照すると良い。
※ ランデのg因子はフィッティングで求めている。
※ JANAのパラメーターをFullprofに入れると安定して動作させやすい。
※ 磁気構造モデルを探査するときには SARAhを用いると便利であったりする。
※ MEMの手順: Fullprof -> Alchemy -> Dysnomia
□ Install
Youtube: https://www.youtube.com/watch?v=UjvXQlSsneI 
Linux, Youtube: https://www.youtube.com/watch?v=oONc5P-URoM
□ Usage
Youtube: https://www.youtube.com/watch?v=pzhDO0vGtds
Youtube: https://www.youtube.com/watch?v=_kX7-UMXrnw
Youtube: https://www.youtube.com/watch?v=ar97GvJjckU
■ CeO2 example

□ Usage
Step1: WinPLOTR, Youtube: https://www.youtube.com/watch?v=NapxbrPARhA
Step2: JANA, Youtube: https://www.youtube.com/watch?v=7z4ZOBOaFoI
Step3: FullProf, Youtube: https://www.youtube.com/watch?v=XltSSM4RwsI

CeO2 data
!     a          b         c        alpha      beta       gamma      #Cell Info
   5.410495   5.410495   5.410495  90.000000  90.000000  90.000000
Formula: Ce 1 O 2
Formula units 4 = Z number


1. FullProf suite ToolBar
2. Run WinPlotr
  Open patter file
  INSTRM=12: GSAS data

  Save data as...
  Save data as XYY data
  Points Selection
  Automatic background
  Background threshould: 0.001
  (Please, change data less than 100)
  Automatic background
    SaVe background points
3. rename hrpd.xyy to CeO2.dat
Then, Jana

Sig1, Gam1, lattce constant, Sig1, Gam1, Sig2, Gam2
a0, b0, a1, b1

Sig1+Gam1, Sig1+Gam1+Sig2, ....

Then, FullProf

allmost prameter is positive.

* clash case
Recover parameter

* rise/decay parameter refinement case
Edit refinement commands
Dumping factor
change "Dumping factor" to 0.5small value
□ FullProf (from JANA)

* unique value to the apparatus
Zero, Dtt1, Dtt2, 2Theta

* Most unique value to the apparatus
Alph0, Beta0, Alph1, Beta1

* From JANA (maybe, Sig0:0, Gam0:0)
Sig2, Sig1, Gam1, Gam2, (Alpha0, Beta0, Alpha1, Beta1)
CeO2.dat (CeO2) was converted from hrpd.dat by WinPLOTR
commcell 5.4198 5.4198 5.4198 90 90 90
Sig1: 84.01547
Gam1: 7.272364
Sig2: 32.55857
Gam2: 0
alpha0: 0.005456
beta0 : 0.026417
alpha1: 0.079602
beta1 : 0.003046

* FullProf
1 - 4 lines are comment

* Setting frequently used
Peak Shape: T.O.F.p-Vogit * B-t-B expornential
Mackground Mode: 6-coeffcients polynominal function, 12-... or Linear...

* occupancy
CeO2 case
Ce: 4 in the unit cell
O : 8 in the unit cell
Number of symmetry operation: 192 for Fm-3m
Ce occ: 4/192 = 0.02083
O  occ: 8/192 = 0.04167

Abs1: 0.4
refinement: Sig1, Sig1+Gam1, Cell, Sig1, Gam1, Sig2, Gam2
a0, b0, a1, b1

allmost prameter is positive.

Recover parameter

* rise/decay parameter refinement case
Edit refinement commands
Dumping factor
change small value
FullProf | GSAS
Dtt1 | DIFC
Dtt2 | DIFA
Zero | Zero
2ThetaBank | Angle of the bank
[*]  http://sites.chem.colostate.edu/neilsonlab/GSAStoFullProf.pdf
■ References

[1] http://nc-imr.imr.tohoku.ac.jp/HERMES/Analysis/FullProf.html
[2] http://nc-imr.imr.tohoku.ac.jp/HERMES/Analysis/FullProf_Howto.html
[1] https://www.youtube.com/watch?v=3eA84qq0pvg
[2] https://www.youtube.com/watch?v=u-pNnGIkkFk
[3] https://www.ill.eu/fileadmin/users_files/documents/news_and_events/workshops_events/2015/FPSchool-2015/Introduction_to_FullProf_Suite_JRC.pdf
[4] http://sites.chem.colostate.edu/neilsonlab/GSAStoFullProf.pdf
■ Input file (*.prc), see FullProf_Manual.pdf (P.67)
Job -1: Neutron case (T.O.F., nuclear and magnetic)
Npr 9: T.O.F. Convolution pseudo-Voigt with back-to-back exponential functions.
Nph 1: Number of phases
Nba 0: Refine background with a polynomial function
Nex 2: Number of excluded regions.
Nsc 0: Number of user defined scattering factors
Nor 0: Preferred orientation function No 1
Dum 1: If equal to 1 and some of the phases are treated with Profile Matching modes, the criterion of convergence when shifts are lower than a fraction of standard deviations is not applied.
Igw 0: Standard least squares refinement
Ilo 0: Standard Debye-Scherrer geometry, or Bragg-Brentano if the illuminated area does not exceed the sample surface.
Ias 1: All reflections are ordered at each cycle.
Res 0: Resolution function of the instrument is not given
Ste 0: Number of data points reduction factor in powder data. If Ste>1 the number of data points is reduced by a factor of Ste.
Nre 0: Number of parameters to be constrained within given limits.
Cry 0: Single crystal job and refinement algorythm type
Uni 1: Scattering variable unit, T.O.F. in micro-seconds
Cor 0: Intensity correction, No correction is applied
Opt 0: The general procedures are used.
Aut 1: Automatic mode for the refinement codes numbering. The program treats the codewords as usual.
Ipr 0: Profile integrated intensities output or generation of .sub files. No action
Ppl 0: Various types of calculated output -I. No action
Ioc 1: Various types of calculated output -II. List of observed and calculated integrated intensities in CODFIL.out
Mat 0: Correlation matrix output. No action
Pcr 1: Update of the .pcr after refinement. CODFIL.pcr is re-written with updated parameters
Ls1 0: Various types of calculated output -III. No action
Ls2 4: Various types of calculated output –IV. In some versions of FullProf a plot of the diffraction pattern is displayed on the screen at each cycle of refinement.
Ls3 0: Various types of calculated output –V. No action
NCY: Number of cycles of refinement.

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