BL-3A 移相子ノート

IgorPro サンプルファイル

(1) PRth-scanにおける分解能関数resoとPRth依存性を表す関数の初期化

(* Initialize *)
Make/N=200/D/O reso1
SetScale/I x -0.02,0.02,"", reso1
Make/N=600/D/O fitfcn1
SetScale/I x dataX[0]-0.02,dataX[numpnts(dataX)-1]+0.02,"", fitfcn1
duplicate/o fitfcn1 fg1,p3in1,p2in1

(* test *)
print prthfit(wprth,-17.6)

(2) 格子基本反射を使ったPRth-scanのフィッティングマクロ

Function PRthfit(w,h)
Wave w; Variable h
Wave fitfcn1,reso1,fg1
Variable tth, ttha, phia
Wave p3in1,p2in1
Variable fsc=-1 // fsc=-1 for holizontal scattering plane, fsc=1 for vertical scattering plane
// w[0]: phiA, w[1]: Intensity, w[2]: At, w[3]: cen_PRth, w[4]: reso, w[5]: Polarization, w[6]: tth, w[7]: ttha
tth=w[6]*pi/180 // tth=0 for a direct beam, tth≠0 for a fundamental Bragg peak
ttha=w[7]*pi/180; phia=w[0]*pi/180 // ttha=0 when No Analyzer
p3in1=fsc*w[5]*cos(w[2]/(x-w[3]))
p2in1=w[5]*sin(w[2]/(x-w[3]))
reso1=(exp(-x^2/2/w[4]^2))/w[4]/sqrt(2*pi)
fitfcn1=w[1]*((1-(1-p3in1)/2*sin(tth)^2)*(1-sin(ttha)^2/2)+(p3in1+(1-p3in1)/2*sin(tth)^2)*cos(2*phia)*sin(ttha)^2/2)
fg1=fitfcn1(x)*reso1(h-x)
return area(fg1,leftx(fitfcn1),rightx(fitfcn1))
End

Macro showparams()
print date()
print "resoFWHM=",wprth[4]*2.3548," (deg)"
print "At=",wprth[2]," (rad•deg)"
print "OFS_pi/2=",wprth[2]*2/pi," (deg)"
End

実行
(* convolution fit *)
FuncFit/H="10000011" PRthfit wprth dataY /X=dataX /W=dataErr /I=1 /D

showparams()