void Postprocessing::makeGuinierPlot(MultidimArray<Complex > &FT, std::vector<fit_point2D> &guinier)
{
MultidimArray<int> radial_count(XSIZE(FT));
MultidimArray<DOUBLE> lnF(XSIZE(FT));
fit_point2D onepoint;
FOR_ALL_ELEMENTS_IN_FFTW_TRANSFORM(FT)
{
int r2 = kp * kp + ip * ip + jp * jp;
int ires = ROUND(sqrt((DOUBLE)r2));
if (ires < XSIZE(radial_count))
{
lnF(ires) += abs(DIRECT_A3D_ELEM(FT, k, i, j));
radial_count(ires)++;
}
}
DOUBLE xsize = XSIZE(I1());
guinier.clear();
FOR_ALL_ELEMENTS_IN_ARRAY1D(radial_count)
{
DOUBLE res = (xsize * angpix)/(DOUBLE)i; // resolution in Angstrom
if (res >= angpix * 2.) // Apply B-factor sharpening until Nyquist, then low-pass filter later on (with a soft edge)
{
onepoint.x = 1. / (res * res);
if (DIRECT_A1D_ELEM(lnF, i) > 0.)
{
onepoint.y = log ( DIRECT_A1D_ELEM(lnF, i) / DIRECT_A1D_ELEM(radial_count, i) );
if (res <= fit_minres && res >= fit_maxres)
{
onepoint.w = 1.;
}
else
{
onepoint.w = 0.;
}
}
else
{
onepoint.y = -99.;
onepoint.w = 0.;
}
//std::cerr << " onepoint.x= " << onepoint.x << " onepoint.y= " << onepoint.y << " onepoint.w= " << onepoint.w << std::endl;
guinier.push_back(onepoint);
}
}
}
// Fourier ring correlation -----------------------------------------------
// from precalculated Fourier Transforms, and without sampling rate etc.
void getFSC(MultidimArray< Complex >& FT1,
MultidimArray< Complex >& FT2,
MultidimArray< double >& fsc)
{
if (!FT1.sameShape(FT2))
{
REPORT_ERROR("fourierShellCorrelation ERROR: MultidimArrays have different shapes!");
}
MultidimArray< int > radial_count(XSIZE(FT1));
MultidimArray<double> num, den1, den2;
Matrix1D<double> f(3);
num.initZeros(radial_count);
den1.initZeros(radial_count);
den2.initZeros(radial_count);
fsc.initZeros(radial_count);
FOR_ALL_ELEMENTS_IN_FFTW_TRANSFORM(FT1)
{
int idx = ROUND(sqrt(kp * kp + ip * ip + jp * jp));
if (idx >= XSIZE(FT1))
{
continue;
}
Complex z1 = DIRECT_A3D_ELEM(FT1, k, i, j);
Complex z2 = DIRECT_A3D_ELEM(FT2, k, i, j);
double absz1 = abs(z1);
double absz2 = abs(z2);
num(idx) += (conj(z1) * z2).real;
den1(idx) += absz1 * absz1;
den2(idx) += absz2 * absz2;
radial_count(idx)++;
}
FOR_ALL_ELEMENTS_IN_ARRAY1D(fsc)
{
fsc(i) = num(i) / sqrt(den1(i) * den2(i));
}
}
