CrystalDiffract: Introduction

필 사이언스 | CambridgeSot | EndNote | Systat

문의

CrystalMaker 홈

제품

다운로드

가격/주문

기술지원

뉴스

CrystalDiffract 5.0

Introduction Features 다운로드 가격/주문

Your Desktop Diffractometer
Powder Diffraction Made Easy

CrystalDiffract is a Macintosh-only program designed to make powder diffraction intuitive, interactive and perhaps even fun...

CrystalDiffract works with CrystalMaker, reading from saved crystal files to simulate and display powder diffraction patterns on screen. You can drag-and-drop a crystal file into CrystalDiffract, or use CrystalMaker's Transform > Diffraction Pattern > Powder command to obtain a diffraction pattern for any displayed crystal structure.

Diffraction patterns can be displayed as traditional greyscale "films", or as diffractometer traces (graphs of intensity versus two-theta, d-spacing, 1/d, time-of-flight or energy). Tools allow you to measure peak positions, intensities, and their Miller indices. You can precisely scroll the diffraction pattern, or select a plot range and zoom. Other tool buttons provide scaling functions, as well as x and y-axis offsets.

The Structures Drawer lets you quickly organize and browse multiple diffraction patterns, including simulated and observed datasets.

As Easy as Drag-and-Drop
You can drag-and-drop a large number of CrystalMaker files into a window's Structures List, and then quickly browse individual diffraction patterns by selecting entries from the list. This is invaluable when trying to identify an unknown phase.

Simulating a phase transition from tetragonal (blue graph) to orthorhombic (red). Unit cell parameters can be edited on-the-fly to see how peak splittings change.

$CrystalDiffract 5 Interface$
You can display multiple diffraction patterns (simulated and observed) in the same window, as shown here for the phases of ice.

Real-Time Parameter Control
CrystalDiffract lets you control all aspects of a diffraction experiment. You can start by choosing x-rays or neutrons, then specify wavelengths, selecting monochromatic or dual-wavelength radiation. You can pick a diffraction peak function, edit the instrumental peak broadening, sample strain and size effects (full version). You can also edit site occupancies - perhaps to investigate the effects of structural disorder on a diffraction pattern - and even exclude selected sites from the diffraction calculation.

Built for Mac OS X

CrystalDiffract 5 is a true "Mach-O" application, fully-optimized to run natively on Mac OS X 10.2 and later including 10.4 "Tiger". The program has all of the advantages of an OS X application, including protected memory, pre-emptive multi tasking and the "Aqua" interface. In addition, usability has been enhanced by replacing dialogs with window "sheets", and providing system-level and searchable online help.

Free Demonstration Version
CrystalDiffract is available in two versions. With the free, Demonstration Version, you can:

Calculate diffraction patterns for any crystal
Simulate x-ray or neutron diffraction
Visualize diffraction as films or graphs
Measure and index a diffraction profile
Interactively edit structural and other data

The demonstration version can be unlocked, via a licence code, to give a the full-feature. This includes the ability to visualize multiple diffraction patterns in the same window, simulate multi-phase mixtures, time-of-flight and energy-dispersive diffraction, compare observed experimental data with simulated data, and much more...