HOW TO ANALYZE SYNCHROTRON DATA

Size: px
Start display at page:

Download "HOW TO ANALYZE SYNCHROTRON DATA"

Transcription

1 HOW TO ANALYZE SYNCHROTRON DATA 1

2 SYNCHROTRON APPLICATIONS - WHAT Diffraction data are collected on diffractometer lines at the world s synchrotron sources. Most synchrotrons have one or more user facilities or ports that perform powder diffraction experiments. The extreme X-ray photon flux rate of a synchrotron allows users much latitude to vary instrumental conditions. Diffractometer lines often use custom optics and detectors designed to improve resolution, sensitivity or capture data quickly. 2

3 SYNCHROTRON APPLICATIONS - WHY Materials can be studied dynamically while under stress, strain, heating or cooling. The high flux rate allows users to rapidly collect many data scans as a function of conditions. High resolution combined with high signal to noise provides improved accuracy in structure solution, phase identification and quantitative analysis. 3

4 SYNCHROTRON APPLICATIONS - HOW To best use the PDF databases for synchrotron applications, users need to adjust applicable parameters in the database. This includes: 1) Using integrated intensity options for all entries. 2) Changing the input wavelength for all data simulations. 3) Adjusting both the optical geometry and peak width for simulations. 4) Using calculated patterns where possible. Calculated patterns have intensities calculated from , experimental patterns have intensities from ) Adjusting background and peak finding algorithms in SIeve for higher sensitivity. (Note: The enhanced signal to noise in most synchrotron experiments means that low intensity peaks are often observed.) 4

5 Synchrotron Help Preferences In PDF-4+ Release 2012 versions and later, a new button was added to the preferences setting, Set Synchrotron Defaults. This changes the wavelength, instrumental peak profiles, and step width for all database calculations and simulations. The profiles were determined from instrumental standards used at the Argonne National Light Source. A default wavelength of Å, was used, but the user can put in any input wavelength. Typical polarization and specimen thicknesses were also input. 5

6 COMPARISON OF EXPERIMENTAL (PD3) AND SIMULATED DATA FOR LAB6 (USING Å AND SYNCHROTRON DEFAULTS ) Large Range in Observed Intensity 6

7 SYNCHROTRON DATA VERSUS LABORATORY DATA Wavelengths are variable. Incident beam is often monochromatic and/or parallel. Peak resolution is high for crystalline materials (i.e., very small instrumental contributions to the peak profiles, 0.01 FWHM or less). High count rates and signal to noise ratio are expected for synchrotron data. 7

8 SYNCHROTRON DATA Peaks below 0.3% relative intensity Clearly resolved low intensity peaks and high signal to noise. 8

9 CHANGING DISPLAY OPTIONS USING SIEVE+ In previous slides, it was shown that display options in PDF-4+ can be customized using preferences, which is this icon shown in many of the display screens in PDF-4+. 9

10 CUSTOM DISPLAYS IMPORTING DATA Import data using the drop down Menu s. The importer supports GSAS formats. This selection will display a browser to find data files. Select Other for wavelength, input wavelength of Å used here. 10

11 After the user inputs the experimental wavelength, a dialog box appears that guides the user through a series of data processing steps. The first step is the removal of background using a Sonneveld-Visser algorithm. The background is highlighted by the blue line. This experiment used a glass capillary as a specimen holder and the background shown arises from incoherent scattering from the capillary glass. Depending on the specimen size and capillary wall thickness in relation to the beam size, sometimes the capillary scatter will be easily observed and other times will not. DATA PROCESSING 11

12 Peak Finding Peak finding uses a second derivative algorithm. Due to the exceptionally good signal to noise ratio in synchrotron data, it is usually best to set the derivative and intensity detection limits to very low numbers. It is also helpful to use the mouse to drag and magnify the plot so that minor peaks can be identified. In this multiphase specimen, 355 peaks were found and some were still not identified and had to be chosen by manual methods. This is a point and click option at the bottom of the page. Manual selection option 12

13 Identification Data are imported into SIeve+ and can be viewed as either a d,i listing or as a complete diffraction pattern. In the example on the right, the pattern is shown in the bottom right panel. The d-spacing matches are shown in the top panel and sorted by the score based on comparing the experiment and reference. The bottom left panel shows the selected identification, D- glucose hydrate, its I/Ic scaling factor and contribution to the total diffraction intensity. Candidates can be viewed and compared to the experimental data by pointing and clicking on the candidates in the top panel and viewing the match in the bottom right panel. 13

14 Multi-phase Identification At any time, the user can choose to view a multiphase comparison by using a right click of the mouse on the previously shown (slide 13) screen in SIeve+. Selection of Open Simulated Profile with Experimental Data will produce a comparison of selected phases with the candidate phases in a single plot. The use of synchrotron defaults as shown in slide 5 will produce a plot with appropriate peak profiles for synchrotron data. In this comparison, the raw data in a vitamin pill is compared to vitamin C, glucose hydrate, iron fumarate and vitamin B. 14

15 SUMMED PHASES Patterns can be summed for the scaled components. There are options within the software to override the scaling, vary the profiles and the colors and ranges in the display. In this analysis, the four highest concentration phases were used in the simulation. This specimen also contains many low concentration phases that could be further identified and plotted. 15

16 CENTRUM PERFORMANCE 8 PHASE SOLUTION Red = Experimental data Black = 8 phase simulation of components The characteristics of this pattern are dominated by KCl and CaHPO4 dihydrate. Six additional minor phases have been identified. 16

17 SUMMARY New features have been added to the PDF-4+ database and associated software SIeve+ specific to synchrotron analyses. An option in the preferences module of PDF-4+ automatically changes several instrument settings to those found in global synchrotron facilities. Instrument profile settings can be user customized, the preference module saves time and convenience when processing synchrotron diffraction data sets. Dynamic memory has been reallocated within the product to allow larger data sets (typical of synchrotron data), to be quickly processed for rapid identification. Q and d-spacing plotting options have been added to Release 2013 Products. 17

18 MORE INFORMATION For more information on how to perform complex multi-phase simulations, see the pattern simulations tutorial. For more information on how to identify minor phases (below 10 wt %), see the tutorial and publication on Data Mining Trace Phase Analysis. For more information on synchrotron instrument functions as used in simulations and Rietveld refinements see the following: J. A. Kaduk and J. Reid, (2011), Typical values of Rietveld instrument profile Coefficients Powder Diffraction / Volume 26 / Issue 01 / March 2011, pp Copyright Cambridge University Press 2011 DOI: Published online: 05 March 2012 Note: Several authors have now reported identification of phases in concentrations below 0.3 wt % using synchrotron data. Significantly lower detection limits are possible with optimized (signal/noise) experiments. 18

PDF-4+ Tools and Searches

PDF-4+ Tools and Searches PDF-4+ Tools and Searches PDF-4+ 2018 The PDF-4+ 2018 database is powered by our integrated search display software. PDF-4+ 2018 boasts 72 search selections coupled with 125 display fields resulting in

More information

PDF-4+ Tools and Searches

PDF-4+ Tools and Searches PDF-4+ Tools and Searches PDF-4+ 2019 The PDF-4+ 2019 database is powered by our integrated search display software. PDF-4+ 2019 boasts 74 search selections coupled with 126 display fields resulting in

More information

You w i ll f ol l ow these st eps : Before opening files, the S c e n e panel is active.

You w i ll f ol l ow these st eps : Before opening files, the S c e n e panel is active. You w i ll f ol l ow these st eps : A. O pen a n i m a g e s t a c k. B. Tr a c e t h e d e n d r i t e w i t h t h e user-guided m ode. C. D e t e c t t h e s p i n e s a u t o m a t i c a l l y. D. C

More information

PDF-2 Tools and Searches

PDF-2 Tools and Searches PDF-2 Tools and Searches PDF-2 2019 The PDF-2 2019 database is powered by our integrated search display software. PDF-2 2019 boasts 69 search selections coupled with 53 display fields resulting in a nearly

More information

Sherlock Tutorial Plated Through Hole (PTH) Fatigue Analysis

Sherlock Tutorial Plated Through Hole (PTH) Fatigue Analysis Sherlock Tutorial Plated Through Hole (PTH) Fatigue Analysis Background Plated Through Holes (PTHs), also known as plated through vias (PTVs), are holes drilled through multilayer printed circuit boards

More information

How to Create a Substance Answer Set

How to Create a Substance Answer Set How to Create a Substance Answer Set Select among five search techniques to find substances Since substances can be described by multiple names or other characteristics, SciFinder gives you the flexibility

More information

Data Mining with the PDF-4 Databases. FeO Non-stoichiometric Oxides

Data Mining with the PDF-4 Databases. FeO Non-stoichiometric Oxides Data Mining with the PDF-4 Databases FeO Non-stoichiometric Oxides This is one of three example-based tutorials for using the data mining capabilities of the PDF-4+ database and it covers the following

More information

Computer simulation of radioactive decay

Computer simulation of radioactive decay Computer simulation of radioactive decay y now you should have worked your way through the introduction to Maple, as well as the introduction to data analysis using Excel Now we will explore radioactive

More information

X-ray spectroscopy: Experimental studies of Moseley s law (K-line x-ray fluorescence) and x-ray material s composition determination

X-ray spectroscopy: Experimental studies of Moseley s law (K-line x-ray fluorescence) and x-ray material s composition determination Uppsala University Department of Physics and Astronomy Laboratory exercise X-ray spectroscopy: Experimental studies of Moseley s law (K-line x-ray fluorescence) and x-ray material s composition determination

More information

Tutorial. Getting started. Sample to Insight. March 31, 2016

Tutorial. Getting started. Sample to Insight. March 31, 2016 Getting started March 31, 2016 Sample to Insight CLC bio, a QIAGEN Company Silkeborgvej 2 Prismet 8000 Aarhus C Denmark Telephone: +45 70 22 32 44 www.clcbio.com support-clcbio@qiagen.com Getting started

More information

Sample Alignment (2D detector) Part

Sample Alignment (2D detector) Part Sample Alignment (2D detector) Part Contents Contents 1 How to set Part conditions...1 1.1 Setting conditions... 1 1.2 Customizing scan conditions and slit conditions... 6 2 Sample alignment sequence...13

More information

Motor-CAD combined electromagnetic and thermal model (January 2015)

Motor-CAD combined electromagnetic and thermal model (January 2015) Motor-CAD combined electromagnetic and thermal model (January 2015) Description The Motor-CAD allows the machine performance, losses and temperatures to be calculated for a BPM machine. In this tutorial

More information

Quality Measures Green Light Report Online Management Tool. Self Guided Tutorial

Quality Measures Green Light Report Online Management Tool. Self Guided Tutorial Quality Measures Green Light Report Online Management Tool Self Guided Tutorial 1 Tutorial Contents Overview Access the QM Green Light Report Review the QM Green Light Report Tips for Success Contact PointRight

More information

Tutorial 23 Back Analysis of Material Properties

Tutorial 23 Back Analysis of Material Properties Tutorial 23 Back Analysis of Material Properties slope with known failure surface sensitivity analysis probabilistic analysis back analysis of material strength Introduction Model This tutorial will demonstrate

More information

Ligand Scout Tutorials

Ligand Scout Tutorials Ligand Scout Tutorials Step : Creating a pharmacophore from a protein-ligand complex. Type ke6 in the upper right area of the screen and press the button Download *+. The protein will be downloaded and

More information

Androgen-independent prostate cancer

Androgen-independent prostate cancer The following tutorial walks through the identification of biological themes in a microarray dataset examining androgen-independent. Visit the GeneSifter Data Center (www.genesifter.net/web/datacenter.html)

More information

X-ray, Neutron and e-beam scattering

X-ray, Neutron and e-beam scattering X-ray, Neutron and e-beam scattering Introduction Why scattering? Diffraction basics Neutrons and x-rays Techniques Direct and reciprocal space Single crystals Powders CaFe 2 As 2 an example What is the

More information

CREATING CUSTOMIZED DATE RANGE COLLECTIONS IN PRESENTATION STUDIO

CREATING CUSTOMIZED DATE RANGE COLLECTIONS IN PRESENTATION STUDIO CREATING CUSTOMIZED DATE RANGE COLLECTIONS IN PRESENTATION STUDIO Date range collections are pre-defined reporting periods for performance data. You have two options: Dynamic date ranges automatically

More information

3D - Structure Graphics Capabilities with PDF-4 Database Products

3D - Structure Graphics Capabilities with PDF-4 Database Products 3D - Structure Graphics Capabilities with PDF-4 Database Products Atomic Structure Information in the PDF-4 Databases ICDD s PDF-4 databases contain atomic structure information for a significant number

More information

REX Evaluation Guide. American Micro Detection Systems Inc March Lane, Suite 200 Stockton, CA 95219

REX Evaluation Guide. American Micro Detection Systems Inc March Lane, Suite 200 Stockton, CA 95219 REX Evaluation Guide American Micro Detection Systems Inc. 2800 March Lane, Suite 200 Stockton, CA 95219 I. INTRODUCTION REX (Real-time Elemental X-ray Fluorescence System) is the only instrument capable

More information

From BASIS DD to Barista Application in Five Easy Steps

From BASIS DD to Barista Application in Five Easy Steps Y The steps are: From BASIS DD to Barista Application in Five Easy Steps By Jim Douglas our current BASIS Data Dictionary is perfect raw material for your first Barista-brewed application. Barista facilitates

More information

MAGNETITE OXIDATION EXAMPLE

MAGNETITE OXIDATION EXAMPLE HSC Chemistry 7.0 1 MAGNETITE OXIDATION EXAMPLE Pelletized magnetite (Fe 3 O 4 ) ore may be oxidized to hematite (Fe 2 O 3 ) in shaft furnace. Typical magnetite content in ore is some 95%. Oxidation is

More information

DAY LABORATORY EXERCISE: SPECTROSCOPY

DAY LABORATORY EXERCISE: SPECTROSCOPY AS101 - Day Laboratory: Spectroscopy Page 1 DAY LABORATORY EXERCISE: SPECTROSCOPY Goals: To see light dispersed into its constituent colors To study how temperature, light intensity, and light color are

More information

Scattering Techniques and Geometries How to choose a beamline. Christopher J. Tassone

Scattering Techniques and Geometries How to choose a beamline. Christopher J. Tassone Scattering Techniques and Geometries How to choose a beamline Christopher J. Tassone Why Care About Geometries? How do you decide which beamline you want to use? Questions you should be asking Do I want

More information

Lab 1 Uniform Motion - Graphing and Analyzing Motion

Lab 1 Uniform Motion - Graphing and Analyzing Motion Lab 1 Uniform Motion - Graphing and Analyzing Motion Objectives: < To observe the distance-time relation for motion at constant velocity. < To make a straight line fit to the distance-time data. < To interpret

More information

From BASIS DD to Barista Application in Five Easy Steps

From BASIS DD to Barista Application in Five Easy Steps Y The steps are: From BASIS DD to Barista Application in Five Easy Steps By Jim Douglas our current BASIS Data Dictionary is perfect raw material for your first Barista-brewed application. Barista facilitates

More information

Chem 253. Tutorial for Materials Studio

Chem 253. Tutorial for Materials Studio Chem 253 Tutorial for Materials Studio This tutorial is designed to introduce Materials Studio 7.0, which is a program used for modeling and simulating materials for predicting and rationalizing structure

More information

Standards-Based Quantification in DTSA-II Part II

Standards-Based Quantification in DTSA-II Part II Standards-Based Quantification in DTSA-II Part II Nicholas W.M. Ritchie National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 nicholas.ritchie@nist.gov Introduction This article is

More information

Comparing whole genomes

Comparing whole genomes BioNumerics Tutorial: Comparing whole genomes 1 Aim The Chromosome Comparison window in BioNumerics has been designed for large-scale comparison of sequences of unlimited length. In this tutorial you will

More information

ncounter PlexSet Data Analysis Guidelines

ncounter PlexSet Data Analysis Guidelines ncounter PlexSet Data Analysis Guidelines NanoString Technologies, Inc. 530 airview Ave North Seattle, Washington 98109 USA Telephone: 206.378.6266 888.358.6266 E-mail: info@nanostring.com Molecules That

More information

Data Acquisition. What choices need to be made?

Data Acquisition. What choices need to be made? 1 Specimen type and preparation Radiation source Wavelength Instrument geometry Detector type Instrument setup Scan parameters 2 Specimen type and preparation Slide mount Front loading cavity Back loading

More information

NMR Predictor. Introduction

NMR Predictor. Introduction NMR Predictor This manual gives a walk-through on how to use the NMR Predictor: Introduction NMR Predictor QuickHelp NMR Predictor Overview Chemical features GUI features Usage Menu system File menu Edit

More information

Manual X-ray fluorescence Manual remote experiment Project e-xperimenteren+

Manual X-ray fluorescence Manual remote experiment Project e-xperimenteren+ Manual X-ray fluorescence Manual remote experiment Project e-xperimenteren+ J.M.Mulder, J. Snellenburg 19-01-2006 Colofon Manual X-ray fluorescence Manual remote experiment Project e-xperimenteren+ Stichting

More information

OECD QSAR Toolbox v.4.1. Tutorial illustrating new options for grouping with metabolism

OECD QSAR Toolbox v.4.1. Tutorial illustrating new options for grouping with metabolism OECD QSAR Toolbox v.4.1 Tutorial illustrating new options for grouping with metabolism Outlook Background Objectives Specific Aims The exercise Workflow 2 Background Grouping with metabolism is a procedure

More information

Color-Magnitude Diagram Lab Manual

Color-Magnitude Diagram Lab Manual Color-Magnitude Diagram Lab Manual Due Oct. 21, 2011 1 Pre-Lab 1.1 Photometry and the Magnitude Scale The brightness of stars is represented by its value on the magnitude scale. The ancient Greek astronomer

More information

XRD RAPID SCREENING SYSTEM FOR COMBINATORIAL CHEMISTRY

XRD RAPID SCREENING SYSTEM FOR COMBINATORIAL CHEMISTRY Copyright(c)JCPDS-International Centre for Diffraction Data 2001,Advances in X-ray Analysis,Vol.44 1 XRD RAPID SCREENING SYSTEM FOR COMBINATORIAL CHEMISTRY Bob B. He, John Anzelmo, Peter LaPuma, Uwe Preckwinkel,

More information

Spectrometer User s Guide

Spectrometer User s Guide Spectrometer User s Guide (Order Codes: V-SPEC, SPRT-VIS, SP-VIS, SP-UV-VIS, ESRT-VIS) The spectrometer is a portable light spectrophotometer, combining a spectrometer and a light source/cuvette holder.

More information

Synchrotron XRPD. Fabia Gozzo. Excelsus Structural Solutions sprl, Brussels, Belgium Excelsus Structural Solutions (Swiss) AG, Switzerland

Synchrotron XRPD. Fabia Gozzo. Excelsus Structural Solutions sprl, Brussels, Belgium Excelsus Structural Solutions (Swiss) AG, Switzerland Synchrotron XRPD Fabia Gozzo Excelsus Structural Solutions sprl, Brussels, Belgium Excelsus Structural Solutions (Swiss) AG, Switzerland Outlook I. LoD and LoQ II. SR-XRPD: is a synchrotron source enough

More information

University of Colorado Denver Anschutz Medical Campus Online Chemical Inventory System User s Manual

University of Colorado Denver Anschutz Medical Campus Online Chemical Inventory System User s Manual University of Colorado Denver Anschutz Medical Campus Online Chemical Inventory System User s Manual Hazardous Materials Division 303-724-0345 chemical.inventory@ucdenver.edu May, 2017 Table of Contents

More information

The RX-6000 Sulfur in Oil Analyzer For the analysis of Sulfur in Oil and other elements from S to U

The RX-6000 Sulfur in Oil Analyzer For the analysis of Sulfur in Oil and other elements from S to U Oxford House, 20 Oxford St Newbury, Berkshire. RG14 1JB UK. sales@spectrolab.eu sales@spectrolab.co.uk Offices in UK, EU, Greece, Dubai The RX-6000 Sulfur in Oil Analyzer For the analysis of Sulfur in

More information

Roark s Formulas for Excel Superposition Wizard

Roark s Formulas for Excel Superposition Wizard Universal Technical Systems Inc. Roark s Formulas for Excel Superposition Wizard UTS are proud to announce the introduction of Roark s Formulas for Excel. The 7 th Edition of Roark s Formulas for Stress

More information

Molecular Modeling and Conformational Analysis with PC Spartan

Molecular Modeling and Conformational Analysis with PC Spartan Molecular Modeling and Conformational Analysis with PC Spartan Introduction Molecular modeling can be done in a variety of ways, from using simple hand-held models to doing sophisticated calculations on

More information

MotiveWave Hurst Cycles Guide Version: 1.0

MotiveWave Hurst Cycles Guide Version: 1.0 Version: 1.0 2018 MotiveWave Software Version 1.0 2018 MotiveWave Software Page 1 of 18 Acknowledgements Special thanks to Michael Richards from Time Price Analysis (https://www.timepriceanalysis.com)

More information

Last updated: Copyright

Last updated: Copyright Last updated: 2012-08-20 Copyright 2004-2012 plabel (v2.4) User s Manual by Bioinformatics Group, Institute of Computing Technology, Chinese Academy of Sciences Tel: 86-10-62601016 Email: zhangkun01@ict.ac.cn,

More information

Space Objects. Section. When you finish this section, you should understand the following:

Space Objects. Section. When you finish this section, you should understand the following: GOLDMC02_132283433X 8/24/06 2:21 PM Page 97 Section 2 Space Objects When you finish this section, you should understand the following: How to create a 2D Space Object and label it with a Space Tag. How

More information

Quantification of JEOL XPS Spectra from SpecSurf

Quantification of JEOL XPS Spectra from SpecSurf Quantification of JEOL XPS Spectra from SpecSurf The quantification procedure used by the JEOL SpecSurf software involves modifying the Scofield cross-sections to account for both an energy dependency

More information

Strain, Stress and Cracks Klaus Attenkofer PV Reliability Workshop (Orlando) April 7-8, 2015

Strain, Stress and Cracks Klaus Attenkofer PV Reliability Workshop (Orlando) April 7-8, 2015 Strain, Stress and Cracks Klaus Attenkofer PV Reliability Workshop (Orlando) April 7-8, 2015 1 BROOKHAVEN SCIENCE ASSOCIATES Overview Material s response to applied forces or what to measure Definitions

More information

OECD QSAR Toolbox v.4.0. Tutorial on how to predict Skin sensitization potential taking into account alert performance

OECD QSAR Toolbox v.4.0. Tutorial on how to predict Skin sensitization potential taking into account alert performance OECD QSAR Toolbox v.4.0 Tutorial on how to predict Skin sensitization potential taking into account alert performance Outlook Background Objectives Specific Aims Read across and analogue approach The exercise

More information

Sample Alignment Part

Sample Alignment Part Sample Alignment Part Contents Contents 1. How to set Part conditions...1 1.1 Setting conditions... 1 1.2 Customizing scan conditions and slit conditions... 6 2. Sample alignment sequence...13 2.1 Direct

More information

Notifications and Accretions: Facility Role

Notifications and Accretions: Facility Role Notifications and Accretions: Facility Role Goal: Learn to view and resolve notification and accretion discrepancies in CROWNWeb. Estimated Time: 25 to 30 minutes PDF: Download a screen reader compatible

More information

Jasco V-670 absorption spectrometer

Jasco V-670 absorption spectrometer Laser Spectroscopy Labs Jasco V-670 absorption spectrometer Operation instructions 1. Turn ON the power switch on the right side of the spectrophotometer. It takes about 5 minutes for the light source

More information

Beamline Practice at BL02B2 (Powder diffraction)

Beamline Practice at BL02B2 (Powder diffraction) Beamline Practice at BL02B2 (Powder diffraction) Rietveld Refinement using Synchrotron X-ray Powder Diffraction Data Shogo Kawaguchi, Bagautdin Bagautdinov, and Kunihisa Sugimoto (JASRI) 1. Introduction

More information

Introduction to Hartree-Fock calculations in Spartan

Introduction to Hartree-Fock calculations in Spartan EE5 in 2008 Hannes Jónsson Introduction to Hartree-Fock calculations in Spartan In this exercise, you will get to use state of the art software for carrying out calculations of wavefunctions for molecues,

More information

Photoluminescence Spectrometer (FLS980)

Photoluminescence Spectrometer (FLS980) Photoluminescence Spectrometer (FLS980) Instrument Summary: The Edinburgh Instruments FLS980 photoluminescence spectrometer offers both steady state and time resolved (lifetime) fluorescence spectroscopy

More information

Preparing a PDB File

Preparing a PDB File Figure 1: Schematic view of the ligand-binding domain from the vitamin D receptor (PDB file 1IE9). The crystallographic waters are shown as small spheres and the bound ligand is shown as a CPK model. HO

More information

Become a Microprobe Power User Part 2: Qualitative & Quantitative Analysis

Become a Microprobe Power User Part 2: Qualitative & Quantitative Analysis Become a Microprobe Power User Part 2: Qualitative & Quantitative Analysis Mike Spilde Spring IOM Seminar February 5, 2008 Qualitative Analysis Why use qualitative scans? Elemental ID (especially trace

More information

Applying MapCalc Map Analysis Software

Applying MapCalc Map Analysis Software Applying MapCalc Map Analysis Software Generating Surface Maps from Point Data: A farmer wants to generate a set of maps from soil samples he has been collecting for several years. Previously, he would

More information

a computer running the CLEA activity The Large Scale Structure of the Universe. a computer running a spreadsheet program

a computer running the CLEA activity The Large Scale Structure of the Universe. a computer running a spreadsheet program TAP 704-5: Red shift The CLEA software enables you to simulate controlling a telescope so that it points at a selected galaxy, and then using a spectrometer to record the light received over a range of

More information

OECD QSAR Toolbox v.4.1. Tutorial on how to predict Skin sensitization potential taking into account alert performance

OECD QSAR Toolbox v.4.1. Tutorial on how to predict Skin sensitization potential taking into account alert performance OECD QSAR Toolbox v.4.1 Tutorial on how to predict Skin sensitization potential taking into account alert performance Outlook Background Objectives Specific Aims Read across and analogue approach The exercise

More information

Computational Chemistry Lab Module: Conformational Analysis of Alkanes

Computational Chemistry Lab Module: Conformational Analysis of Alkanes Introduction Computational Chemistry Lab Module: Conformational Analysis of Alkanes In this experiment, we will use CAChe software package to model the conformations of butane, 2-methylbutane, and substituted

More information

Manual Laser Doppler Anemometry Manual remote experiment Project e-xperimenteren+

Manual Laser Doppler Anemometry Manual remote experiment Project e-xperimenteren+ Manual Laser Doppler Anemometry Manual remote experiment Project e-xperimenteren+ J. Snellenburg, J.M.Mulder 19-01-2006 Colofon Manual Laser Doppler Anemometry Manual remote experiment Project e-xperimenteren+

More information

MassHunter Software Overview

MassHunter Software Overview MassHunter Software Overview 1 Qualitative Analysis Workflows Workflows in Qualitative Analysis allow the user to only see and work with the areas and dialog boxes they need for their specific tasks A

More information

Technical Procedure for Glass Refractive Index Measurement System 3 (GRIM 3)

Technical Procedure for Glass Refractive Index Measurement System 3 (GRIM 3) Technical Procedure for Glass Refractive Index Measurement System 3 (GRIM 3) 1.0 Purpose - This technical procedure shall be followed for the operation of the GRIM 3. 2.0 Scope - This procedure applies

More information

Dock Ligands from a 2D Molecule Sketch

Dock Ligands from a 2D Molecule Sketch Dock Ligands from a 2D Molecule Sketch March 31, 2016 Sample to Insight CLC bio, a QIAGEN Company Silkeborgvej 2 Prismet 8000 Aarhus C Denmark Telephone: +45 70 22 32 44 www.clcbio.com support-clcbio@qiagen.com

More information

An area chart emphasizes the trend of each value over time. An area chart also shows the relationship of parts to a whole.

An area chart emphasizes the trend of each value over time. An area chart also shows the relationship of parts to a whole. Excel 2003 Creating a Chart Introduction Page 1 By the end of this lesson, learners should be able to: Identify the parts of a chart Identify different types of charts Create an Embedded Chart Create a

More information

University of Minnesota Nano Center Standard Operating Procedure

University of Minnesota Nano Center Standard Operating Procedure University of Minnesota Nano Center Standard Operating Procedure Equipment Name: Zeta Potential Analyzer Model: Stabino Location: PAN 185 Badger Name: Not on Badger Revision Number: 0-Inital release Revisionist:

More information

A Determination of Planck s Constant with LED s written by Mark Langella

A Determination of Planck s Constant with LED s written by Mark Langella A Determination of Planck s Constant with LED s written by Mark Langella The purpose of this experiment is to measure Planck s constant, a fundamental physical constant in nature, by studying the energy

More information

Stoichiometric Reactor Simulation Robert P. Hesketh and Concetta LaMarca Chemical Engineering, Rowan University (Revised 4/8/09)

Stoichiometric Reactor Simulation Robert P. Hesketh and Concetta LaMarca Chemical Engineering, Rowan University (Revised 4/8/09) Stoichiometric Reactor Simulation Robert P. Hesketh and Concetta LaMarca Chemical Engineering, Rowan University (Revised 4/8/09) In this session you will learn how to create a stoichiometric reactor model

More information

Example: Identification

Example: Identification Example: Identification In this structure we will explore Atom identification Working with maps Working with projections Eliminating diffusely diffracting solvent Disorder modeling Restrain application

More information

AES Features in CasaXPS

AES Features in CasaXPS Copyright 2004, Casa Software Ltd. All Rights Reserved. 1 of 6 AES Features in CasaXPS Converting AES Direct Spectra to Differential Form Spectra acquired in direct form must be processed into the differential

More information

1 Solution of Electrostatics Problems with COM- SOL

1 Solution of Electrostatics Problems with COM- SOL 1 Solution of Electrostatics Problems with COM- SOL This section gives examples demonstrating how Comsol can be used to solve some simple electrostatics problems. 1.1 Laplace s Equation We start with a

More information

ES205 Analysis and Design of Engineering Systems: Lab 1: An Introductory Tutorial: Getting Started with SIMULINK

ES205 Analysis and Design of Engineering Systems: Lab 1: An Introductory Tutorial: Getting Started with SIMULINK ES205 Analysis and Design of Engineering Systems: Lab 1: An Introductory Tutorial: Getting Started with SIMULINK What is SIMULINK? SIMULINK is a software package for modeling, simulating, and analyzing

More information

The WEPP online GIS interface uses the OpenLayers (http://openlayers.org/) software to assist in setting

The WEPP online GIS interface uses the OpenLayers (http://openlayers.org/) software to assist in setting WEPP Online GIS OpenLayers/Google Maps Interface February 15,2011 Website: http://milford.nserl.purdue.edu/ol/wepp/ The WEPP online GIS interface uses the OpenLayers (http://openlayers.org/) software to

More information

Mnova Software for Analyzing Reaction Monitoring NMR Spectra

Mnova Software for Analyzing Reaction Monitoring NMR Spectra Mnova Software for Analyzing Reaction Monitoring NMR Spectra Version 10 Chen Peng, PhD, VP of Business Development, US & China Mestrelab Research SL San Diego, CA, USA chen.peng@mestrelab.com 858.736.4563

More information

Quality Measures (QM) Report. Self Guided Tutorial

Quality Measures (QM) Report. Self Guided Tutorial Quality Measures (QM) Report Self Guided Tutorial 1 Tutorial Contents Overview of the QM Online Report Facility Summary Report Resident Drill down Monthly Trend Report Resident Roster Report Printing Reports/Export

More information

Part 1: What is XAFS? What does it tell us? The EXAFS equation. Part 2: Basic steps in the analysis Quick overview of typical analysis

Part 1: What is XAFS? What does it tell us? The EXAFS equation. Part 2: Basic steps in the analysis Quick overview of typical analysis Introduction to XAFS Part 1: What is XAFS? What does it tell us? The EXAFS equation Part 2: Basic steps in the analysis Quick overview of typical analysis Tomorrow Measurement methods and examples The

More information

and Environmental Science Centre

and Environmental Science Centre 1. Purpose The purpose of this document is to familiarize the user with the mode of function of the FT-Raman available at the facility, and to describe the sampling procedure. 2. Introduction Raman spectroscopy

More information

Refine & Validate. In the *.res file, be sure to add the following four commands after the UNIT instruction and before any atoms: ACTA CONF WPDB -2

Refine & Validate. In the *.res file, be sure to add the following four commands after the UNIT instruction and before any atoms: ACTA CONF WPDB -2 Refine & Validate Refinement is simply a way to improve the fit between the measured intensities and the intensities calculated from the model. The peaks in the difference map and the list of worst fitting

More information

Agilent MassHunter Profinder: Solving the Challenge of Isotopologue Extraction for Qualitative Flux Analysis

Agilent MassHunter Profinder: Solving the Challenge of Isotopologue Extraction for Qualitative Flux Analysis Agilent MassHunter Profinder: Solving the Challenge of Isotopologue Extraction for Qualitative Flux Analysis Technical Overview Introduction Metabolomics studies measure the relative abundance of metabolites

More information

Multiphysics Modeling

Multiphysics Modeling 11 Multiphysics Modeling This chapter covers the use of FEMLAB for multiphysics modeling and coupled-field analyses. It first describes the various ways of building multiphysics models. Then a step-by-step

More information

SeeSAR 7.1 Beginners Guide. June 2017

SeeSAR 7.1 Beginners Guide. June 2017 SeeSAR 7.1 Beginners Guide June 2017 Part 1: Basics 1 Type a pdb code and press return or Load your own protein or already existing project, or Just load molecules To begin, let s type 2zff and download

More information

CLEA/VIREO PHOTOMETRY OF THE PLEIADES

CLEA/VIREO PHOTOMETRY OF THE PLEIADES CLEA/VIREO PHOTOMETRY OF THE PLEIADES Starting up the program The computer program you will use is a realistic simulation of a UBV photometer attached to a small (diameter=0.4 meters) research telescope.

More information

Lab VI Light Emitting Diodes ECE 476

Lab VI Light Emitting Diodes ECE 476 Lab VI Light Emitting Diodes ECE 476 I. Purpose This experiment examines the properties of light emitting diodes. The use of the monochromator for studying the spectrum of light sources is also examined.

More information

Building Inflation Tables and CER Libraries

Building Inflation Tables and CER Libraries Building Inflation Tables and CER Libraries January 2007 Presented by James K. Johnson Tecolote Research, Inc. Copyright Tecolote Research, Inc. September 2006 Abstract Building Inflation Tables and CER

More information

Dose-Response Analysis Report

Dose-Response Analysis Report Contents Introduction... 1 Step 1 - Treatment Selection... 2 Step 2 - Data Column Selection... 2 Step 3 - Chemical Selection... 2 Step 4 - Rate Verification... 3 Step 5 - Sample Verification... 4 Step

More information

Circular Motion and Centripetal Force

Circular Motion and Centripetal Force [For International Campus Lab ONLY] Objective Measure the centripetal force with the radius, mass, and speed of a particle in uniform circular motion. Theory ----------------------------- Reference --------------------------

More information

Ocean Optics Red Tide UV-VIS Spectrometer (Order Code: SPRT-UV-VIS)

Ocean Optics Red Tide UV-VIS Spectrometer (Order Code: SPRT-UV-VIS) Ocean Optics Red Tide UV-VIS Spectrometer (Order Code: SPRT-UV-VIS) The UV-VIS spectrometer is a portable ultraviolet light and visible light spectrophotometer, combining a spectrometer and a light source/cuvette

More information

ELEC 1908 The Electric Potential (V) March 28, 2013

ELEC 1908 The Electric Potential (V) March 28, 2013 ELEC 1908 The Electric Potential (V) March 28, 2013 1 Abstract The objective of this lab is to solve numerically Laplace s equation in order to obtain the electric potential distribution in di erent electric

More information

Spin transport in Magnetic Tunnel Junctions

Spin transport in Magnetic Tunnel Junctions Spin transport in Magnetic Tunnel Junctions Tutorial on spin transport in Fe-MgO-Fe Version 2015.2 Spin transport in Magnetic Tunnel Junctions: Tutorial on spin transport in Fe-MgO-Fe Version 2015.2 Copyright

More information

D.T.M: TRANSFER TEXTBOOKS FROM ONE SCHOOL TO ANOTHER

D.T.M: TRANSFER TEXTBOOKS FROM ONE SCHOOL TO ANOTHER Destiny Textbook Manager allows users with full access to transfer Textbooks from one school site to another and receive transfers from the warehouse In this tutorial you will learn how to: Requirements:

More information

BUILDING BASICS WITH HYPERCHEM LITE

BUILDING BASICS WITH HYPERCHEM LITE BUILDING BASICS WITH HYPERCHEM LITE LAB MOD1.COMP From Gannon University SIM INTRODUCTION A chemical bond is a link between atoms resulting from the mutual attraction of their nuclei for electrons. There

More information

Leaf Spring (Material, Contact, geometric nonlinearity)

Leaf Spring (Material, Contact, geometric nonlinearity) 00 Summary Summary Nonlinear Static Analysis - Unit: N, mm - Geometric model: Leaf Spring.x_t Leaf Spring (Material, Contact, geometric nonlinearity) Nonlinear Material configuration - Stress - Strain

More information

Section 26.1: Reporting Conventions. Section 26.2: Fluxes Through Boundaries. Section 26.3: Forces on Boundaries

Section 26.1: Reporting Conventions. Section 26.2: Fluxes Through Boundaries. Section 26.3: Forces on Boundaries Chapter 26. Alphanumeric Reporting FLUENT provides tools for computing and reporting integral quantities at surfaces and boundaries. These tools enable you to find the mass flow rate and heat transfer

More information

2. To measure the emission lines in the hydrogen, helium and possibly other elemental spectra, and compare these to know values.

2. To measure the emission lines in the hydrogen, helium and possibly other elemental spectra, and compare these to know values. 4.1. Purpose 1. To record several elemental emission spectra using arc lamps filled with each element using the Ocean Optics USB650 spectrometer. 2. To measure the emission lines in the hydrogen, helium

More information

Geology Wilson Computer lab Pitfalls II

Geology Wilson Computer lab Pitfalls II Geology 554 - Wilson Computer lab Pitfalls II Today we ll explore a subtle pitfall that can have significant influence on the interpretation of both simple and complex structures alike (see example 10

More information

BOND LENGTH WITH HYPERCHEM LITE

BOND LENGTH WITH HYPERCHEM LITE BOND LENGTH WITH HYPERCHEM LITE LAB MOD2.COMP From Gannon University SIM INTRODUCTION The electron cloud surrounding the nucleus of the atom determines the size of the atom. Since this distance is somewhat

More information

Lab Manual: Determination of Planck s constant with x-rays

Lab Manual: Determination of Planck s constant with x-rays Lab Manual: Determination of Planck s constant with x-rays 1. Purpose: To obtain a better understanding on the production of X-rays, the bremsstrahlung radiation and the characteristic radiation of a Molybdenum

More information

Supplementary Figure 1. Large-area SEM images of rhombic rod foldectures (F1) deposited on Si substrate in (a) an in-plane magnetic field and (b) an

Supplementary Figure 1. Large-area SEM images of rhombic rod foldectures (F1) deposited on Si substrate in (a) an in-plane magnetic field and (b) an Supplementary Figure 1. Large-area SEM images of rhombic rod foldectures (F1) deposited on Si substrate in (a) an in-plane magnetic field and (b) an out-of-plane magnetic field. Scale bars: 10 m. 1 Supplementary

More information

ON SITE SYSTEMS Chemical Safety Assistant

ON SITE SYSTEMS Chemical Safety Assistant ON SITE SYSTEMS Chemical Safety Assistant CS ASSISTANT WEB USERS MANUAL On Site Systems 23 N. Gore Ave. Suite 200 St. Louis, MO 63119 Phone 314-963-9934 Fax 314-963-9281 Table of Contents INTRODUCTION

More information

How to Make Photometric & Colorimetric Measurements of Light Sources using an Ocean Optics Spectrometer and SpectraSuite Software

How to Make Photometric & Colorimetric Measurements of Light Sources using an Ocean Optics Spectrometer and SpectraSuite Software How to Make Photometric & Colorimetric Measurements of Light Sources using an Ocean Optics Spectrometer and SpectraSuite Software This is a concise guide to setting up and calibrating your Ocean Optics

More information