4.7.3 - Resolution Calculation - JdlResolution

John W. Campbell

4.7.3.1 Introduction

This class calculates, from the cell constants, parameters which may be used to determine the resolution of individual reflections. The code has been derived from functions from the CCP4 program suite.

Class, constructors and methods:

Class Details
Accessible Fields
Constructor
Get Resolution

4.7.3.2 Class Details

Package:
Jdl.JdlPX;
Class name:
JdlResolution
Class definition:
public class JdlResolution
Extends:
Object
Implements:
none
Actions:
none

4.7.3.3 Accessible Fields

No fields with public, package or protected access defined.

4.7.3.4 Constructor

4.7.3.4.1 Introduction

Three constructors are available to construct a JdlResolution object from a JdlCell object, an array of cell parameters or from a set of individual cell parameters.

Constructors:

Constructor 1
Constructor 2
Constructor 3

4.7.3.4.2 Constructor 1

Create a JdlResolution object from a JdlCell object.

Constructor Definition:
public JdlResolution (JdlCell cell)
Parameters List:
none

4.7.3.4.3 Constructor 2

Create a JdlResolution object from an array containing the cell parameters.

Constructor Definition:
public JdlResolution (double[] cell)
Parameters List:
cell
The cell parameters in a 6 element double array (a, b, c, alpha, beta, gamma in Angstroms and degrees).

4.7.3.4.4 Constructor 3

Create a JdlResolution object from the individual cell parameters.

Constructor Definition:
public JdlResolution (double a, double b, double c, double alpha, double beta, double gamma)
Parameters List:
a
The cell parameter 'a' in Angstroms.
b
The cell parameter 'b' in Angstroms.
c
The cell parameter 'c' in Angstroms.
alpha
The cell parameter 'alpha' in degrees.
beta
The cell parameter 'beta' in degrees.
gamma
The cell parameter 'gamma' in degrees.

4.7.3.5 Get Resolution

4.7.3.5.1 Introduction

This section has methods to calculate the resolution of a reflection based on the stored cell given the reflection indices.

Methods:

Get resolution - getResolution
Get resolution - getSinThLamSq

4.7.3.5.2 Get resolution - getResolution

Returns the resolution of the requested reflection in Angstroms.

Method Definition:
public double getResolution(int h, int k, int l)
Parameters List:
h
The reflection 'h' index.
k
The reflection 'k' index.
l
The reflection 'l' index.

4.7.3.5.3 Get resolution - getSinThLamSq

Returns the resolution of the requested reflection as (sin(theta)/lambda)**2.

Method Definition:
public double getSinThLamSq(int h, int k, int l)
Parameters List:
h
The reflection 'h' index.
k
The reflection 'k' index.
l
The reflection 'l' index.

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