XRD Users Group

X-Ray Diffraction Users Group

Coordinator: ACMAL X-Ray Facility Manager Ed Laitila

Session I: DESIGN AND SET-UP OF XRD EXPERIMENTS

XRDUG Session 01In this session the details of XRD experiment design will be discussed with topics such as; understanding what will be determined from the sample, sample preparation, sample mounting, and details of diffraction scan parameters. The diffraction parameters of interest are the scan range, the step size to digitize the data, the count time, and effects of optics.

Session I Class Notes

Design and Set-up of XRD Experiments

Session I Figures

Materials added March 4, 2009

Session II: DETAILED ANALYSIS OF THE XRD SCAN SET-UP PROCEDURE FOR THE SCINTAG θ/θ DIFFRACTOMETER

XRDUG Session 02In this session the actual setup of the diffraction instrument and data collection strategies will be discussed along with laboratory procedures, organization of the laboratory, data storage, and procedure to sign up for instrument time. Additionally, a user manual for the instrument will be provided.

Session II Class Notes

XRD Facilities Organization and Important Procedures

DMSNT Operational Manual

Operation Manual for the Scintag θ/θ Diffractometer & DMS-NT Software

Materials updated May 17, 2012

Session III: COMPUTER ALGORITHMS USED FOR XRD DATA SMOOTHING, BACKGROUND CORRECTION, AND CREATING PEAK FILES

XRDUG Session 03
This session details the features typically determined from diffraction data. This includes how to prepare the data for analysis of peak features by various background models used to subtract the background from the spectrum and methods of smoothing diffraction data. Additionally, the details of typical peak finder programs are discussed as an initial analytical method to determine peak information. Use of these features in the DMSNT software are discussed.

Session III Class Notes

Computer Algorithms Used for XRD Data Smoothing, Background Corrections, and Generating Peak Files

Session III Screenshots

Materials added March 6, 2009

Session IV: PROFILE FITTING AND GRAPHICAL MANIPULATION OF XRD DATA

XRDUG Session 04Details of profile fitting or matching diffraction data to generally used mathematical profiles. Use of the software and mathematical details of each function are provided. Discussion of peak parameters determined from the profile fitting and meaning of various types of data generated. Use of this feature in the DMSNT software is discussed.

Session IV Class Notes

Mathematical Profile Fitting of XRD Data

Session IV DMSNT

Mathematical Profile Fitting of XRD Data – DMSNT Operation

Session IV Screenshots

Materials added March 6, 2009