cctbx::xray::targets Namespace Reference

Structure-factor target functions. More...


Classes

struct  common_results
struct  correlation
struct  least_squares
struct  f_calc_modulus
 The modulus of complex structure factors. More...
struct  f_calc_modulus_square
 The modulus squared of complex structure factors. More...
class  least_squares_residual
 A functor representing a least-squares residual. More...
class  maximum_likelihood_criterion
 maximum-likelihood target function and gradients More...
class  maximum_likelihood_criterion_hl
 Maximum-likelihood target function and gradients. More...
class  r_factor

Functions

double maximum_likelihood_target_one_h (double fo, double fc, double a, double b, double k, int e, bool centric)
 Amplitude based Maximum-Likelihood target for one miller index.
std::complex< double > d_maximum_likelihood_target_one_h_over_fc (double fo, std::complex< double > fc_complex, double a, double b, double k, int e, bool centric)
double d_maximum_likelihood_target_one_h_over_k (double fo, double fc, double a, double b, double k, int e, bool centric)
 Gradient of amplitude based Maximum-Likelihood target for one Miller index w.r.t. k.


Detailed Description

Structure-factor target functions.

Function Documentation

std::complex<double> cctbx::xray::targets::d_maximum_likelihood_target_one_h_over_fc ( double  fo,
std::complex< double >  fc_complex,
double  a,
double  b,
double  k,
int  e,
bool  centric 
) [inline]

No phase information included. Pavel Afonine, 03-JAN-2005. fo = |Fobs| fc = Fcalc a, b = distribution parameters alpha and beta k = overall scale coefficient e = epsilon, statistical weight for reflection centric = flag (false for acentric, true for centric)

References CCTBX_ASSERT, and scitbx::math::bessel::i1_over_i0().

double cctbx::xray::targets::d_maximum_likelihood_target_one_h_over_k ( double  fo,
double  fc,
double  a,
double  b,
double  k,
int  e,
bool  centric 
) [inline]

Gradient of amplitude based Maximum-Likelihood target for one Miller index w.r.t. k.

No phase information included. Pavel Afonine, 03-JAN-2005. fo = |Fobs| fc = |Fcalc| a, b = distribution parameters alpha and beta k = overall scale coefficient e = epsilon, statistical weight for reflection centric = flag (false for acentric, true for centric)

References CCTBX_ASSERT, and scitbx::math::bessel::i1_over_i0().

double cctbx::xray::targets::maximum_likelihood_target_one_h ( double  fo,
double  fc,
double  a,
double  b,
double  k,
int  e,
bool  centric 
) [inline]

Amplitude based Maximum-Likelihood target for one miller index.

No phase information included. Pavel Afonine, 28-DEC-2004. fo = |Fobs| fc = |Fcalc| a, b = distribution parameters alpha and beta k = overall scale coefficient e = epsilon, statistical weight for reflection centric = flag (false for acentric, true for centric)

References CCTBX_ASSERT, and scitbx::math::bessel::ln_of_i0().


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