cctbx::xray::targets Namespace Reference

X-ray target function of structure factors namespace. More...

Classes
class	common_results
class	ls_with_scale
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	intensity_correlation
class	maximum_likelihood_criterion
	maximum-likelihood target function and gradients More...
class	maximum_likelihood_criterion_hl
	Maximum-likelihood target function and gradients. More...
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.

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Detailed Description

X-ray target function of structure factors namespace.

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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().