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#include <clipper/clipper.h>
#include <clipper/clipper-ccp4.h>
using namespace clipper;
using namespace clipper::data32;
int main(int argc, char** argv)
{
CCP4MTZfile file;
clipper::HKL_data_base::HKL_reference_index ih;
double mfom[40][20], nfom[40][20];
for ( int i = 0; i < 40; i++ ) for ( int j = 0; j < 20; j++ )
mfom[i][j] = nfom[i][j] = 0.0;
HKL_info hkls;
file.open_read(argv[1]);
file.import_hkl_info( hkls, true );
file.close_read();
Resolution_ordinal resord;
resord.init( hkls, 1.0 );
HKL_data<ABCD> abcd(hkls);
HKL_data<Phi_fom> fom(hkls);
HKL_data<Phi_fom> fom1(hkls);
HKL_data<Phi_fom> fom2(hkls);
for ( ih = hkls.first(); !ih.last(); ih.next() ) {
fom1[ih].phi() = fom2[ih].phi() = 0.0;
fom1[ih].fom() = fom2[ih].fom() = 0.0;
}
double n = 0.0;
for ( int i = 1; i < argc; i++ ) {
file.open_read( argv[i] );
file.import_hkl_data( abcd, "/*/*/sigmaa" );
file.close_read();
fom.compute( abcd, clipper::data32::Compute_phifom_from_abcd() );
for ( ih = hkls.first(); !ih.last(); ih.next() )
if ( !fom[ih].missing() ) {
fom1[ih].fom() += fom[ih].fom();
fom2[ih].fom() += fom[ih].fom()*fom[ih].fom();
int bin = int( 39.999*resord.ordinal( ih.invresolsq() ) );
mfom[bin][i] += fom[ih].fom();
nfom[bin][i] += 1.0;
}
n += 1.0;
}
double s0 = 0.0, s1 = 0.0;
for ( ih = hkls.first(); !ih.last(); ih.next() )
if ( !fom1[ih].missing() ) {
fom1[ih].fom() /= n;
fom2[ih].fom() /= n;
fom2[ih].fom() = sqrt( Util::max( fom2[ih].fom() - fom1[ih].fom()*fom1[ih].fom(), 0.0f ) );
s0 += 1.0;
s1 += fom2[ih].fom();
}
std::cout << s1/s0 << "\n";
resord.invert();
for ( int i = 0; i < 40; i++ ) {
std::cout << resord.ordinal(double(i)/40.0) << " \t";
for ( int j = 0; j < 20; j++ )
if ( nfom[i][j] > 0.0 )
std::cout << mfom[i][j]/nfom[i][j] << " \t";
std::cout << "\n";
}
}
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