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Xpert Highscore Plus Software 181


What is Xpert Highscore Plus Software 181 and How to Use It?




If you are looking for a comprehensive and user-friendly tool for X-ray diffraction (XRD) analysis, you might want to check out Xpert Highscore Plus Software 181. This software is designed to help you with various XRD applications, such as phase identification, crystallographic analysis, cluster analysis, and Rietveld refinements. In this article, we will give you an overview of the features and benefits of Xpert Highscore Plus Software 181, and show you how to install and use it.




Xpert Highscore Plus Software 181



Features and Benefits of Xpert Highscore Plus Software 181




Xpert Highscore Plus Software 181 is a software package that combines data collection, data processing, and data analysis for XRD. It can handle data from different types of XRD instruments, such as multipurpose diffractometers, powder diffractometers, and thin film diffractometers. It can also work with various types of samples, such as powders, thin films, nanomaterials, and solid objects.


Some of the features and benefits of Xpert Highscore Plus Software 181 are:


  • It has a powerful search-match algorithm that can identify phases based on peak and profile data in a single step. It can also use different types of reference databases, such as ICSD, PDF-4+, COD, etc.



  • It has four classical indexing routines (Ito, Dicvol, Treor, or McMaille) and a random-search/grid-search routine (McMaille) for determining the unit cell parameters of unknown phases. It can also perform space group tests, lattice and structure transformations, cell reductions, and standardization of non-standard space group settings.



  • It has a Rietveld refinement module that can refine the structural parameters of crystalline phases using powder or neutron data. It can also perform profile fitting, Pawley fitting, Le Bail fitting, and pattern treatment.



  • It has a cluster analysis module that can automatically sort and classify large amounts of data into related groups based on similarity. This is useful for non-ambient experiments, mining samples, soil mapping, synthesis experiments, polymorphs and solvates detection, etc.



  • It has a smart batch module that can automate repetitive tasks using decision steps and loops in a flowchart layout. This can save time and improve efficiency.



  • It has a graphical user interface that is intuitive and easy to use. It also has extensive user documentation and tutorial videos to help you get started.



How to Install and Use Xpert Highscore Plus Software 181




To install Xpert Highscore Plus Software 181 on your Windows 10 computer, you need to follow these steps:


  • Download the software from the Malvern Panalytical website or from the link provided by your supplier.



  • Run the setup file and follow the instructions on the screen. You may need to enter your license key or activate your trial version.



  • After the installation is complete, launch the software from the Start menu or from the desktop shortcut.



To use Xpert Highscore Plus Software 181 for XRD analysis, you need to follow these steps:


  • Connect your XRD instrument to your computer and make sure it is recognized by the software.



  • Select Data Collector from the main menu and choose your instrument type and configuration.



  • Set up your measurement parameters and start collecting data from your sample.



  • Select HighScore Plus from the main menu and open your data file.



  • Use the search-match module to identify the phases present in your sample. You can adjust the search criteria and scoring options as needed.



  • Use the indexing module to determine the unit cell parameters of unknown phases. You can choose from different indexing methods and refine your results.



  • Use the Rietveld refinement module to refine the structural parameters of crystalline phases. You can set up your model parameters and constraints and optimize your fit.



  • Use the cluster analysis module to sort and classify large amounts of data into related groups. You can choose from different clustering methods and visualize your results.



  • Use the smart batch module to automate repetitive tasks using decision steps and loops. You can create your own flowcharts or use predefined ones.



  • Save your results and generate reports using different formats and templates.



I hope this article has given you a good introduction to Xpert Highscore Plus Software 181 and how to use it for XRD analysis. If you have any questions or feedback, please feel free to contact me or leave a comment below.


How to Install and Load ICCD Cards in Xpert Highscore Plus Software 181




One of the features of Xpert Highscore Plus Software 181 is that it can use different types of reference databases for phase identification, such as the Inorganic Crystal Structure Database (ICSD), the Powder Diffraction File (PDF-4+), the Crystallography Open Database (COD), etc. These databases contain information about the crystal structures and powder diffraction patterns of various materials, which can be used to match and identify the phases present in your sample.


However, to use these databases, you need to load them into the software using ICCD cards. ICCD cards are files that contain information about the location, format, and access of the reference databases. They also contain some settings and options for the search-match algorithm. Without ICCD cards, you cannot use the reference databases in Xpert Highscore Plus Software 181.


In this section, we will show you how to install and load ICCD cards in Xpert Highscore Plus Software 181. We will use the ICSD database as an example, but you can follow the same steps for other databases as well.


  • First, you need to install the ICSD database on your computer. You can download it from the FIZ Karlsruhe website or from the link provided by your supplier. You may need to enter your license key or activate your trial version.



  • Next, you need to download the ICCD card for the ICSD database from the Malvern Panalytical website or from the link provided by your supplier. Save it in a folder that you can easily access.



  • Then, you need to launch Xpert Highscore Plus Software 181 and go to the menu File > Open > Reference Pattern Database.



  • A window will pop up asking you to select an ICCD card file. Browse to the folder where you saved the ICCD card for the ICSD database and select it. Click on Open.



  • The software will then load the ICCD card and connect to the ICSD database. You will see a message saying "ICSD database successfully loaded". Click on OK.



  • You can now use the ICSD database for phase identification. To do so, go to the menu Search-Match > Search-Match Options and select ICSD from the dropdown menu of Reference Databases. Click on OK.



Congratulations! You have successfully installed and loaded ICCD cards in Xpert Highscore Plus Software 181. You can repeat these steps for other reference databases as well.


How to Perform Rietveld Refinement with Xpert Highscore Plus Software 181




Rietveld refinement is a technique that can refine the structural parameters of crystalline phases using powder diffraction data. It can also provide quantitative phase analysis, crystallite size and microstrain estimation, and preferred orientation correction. Rietveld refinement is based on fitting a calculated diffraction pattern to the observed diffraction pattern by minimizing the difference between them.


Xpert Highscore Plus Software 181 has a Rietveld refinement module that can perform Rietveld refinement on powder or neutron data. It can handle single-phase or multi-phase systems, as well as amorphous or non-crystalline components. It can also use different types of reference databases for phase identification, such as ICSD, PDF-4+, COD, etc.


In this section, we will show you how to perform Rietveld refinement with Xpert Highscore Plus Software 181. We will use a sample of alumina (Al2O3) as an example, but you can follow the same steps for other samples as well.


  • First, you need to collect the powder diffraction data from your sample using your XRD instrument and save it in a file format that Xpert Highscore Plus Software 181 can read, such as .xrdml, .raw, .xye, etc.



  • Next, you need to launch Xpert Highscore Plus Software 181 and open your data file. You can do this by going to the menu File > Open > Scan or by dragging and dropping the file into the software.



  • Then, you need to identify the phase(s) present in your sample using the search-match module. You can do this by going to the menu Search-Match > Search-Match Options and selecting the reference database(s) that you want to use. You can also adjust the search criteria and scoring options as needed. Then click on OK and wait for the software to find the best matches for your data.



  • After the search-match is done, you will see a list of possible phases that match your data. You can select the phase(s) that you want to use for Rietveld refinement by checking the boxes next to them. You can also edit or delete any phase(s) that you don't want to use by right-clicking on them and choosing the appropriate option.



  • Next, you need to convert your selected phase(s) into a pattern for Rietveld refinement. You can do this by going to the menu Pattern > Convert Pattern To Phase or by right-clicking on any selected phase and choosing Convert Pattern To Phase. This will create a new phase with the same name as the selected pattern and copy its structural information from the reference database.



  • Then, you need to set up your model parameters and constraints for Rietveld refinement. You can do this by going to the menu Pattern > Edit Parameters or by double-clicking on any phase. This will open a window where you can see and edit various parameters related to your phase(s), such as lattice parameters, atomic coordinates, occupancy factors, isotropic or anisotropic thermal factors, etc. You can also set up constraints or restraints between different parameters using mathematical expressions.



  • Next, you need to optimize your fit by minimizing the difference between the calculated and observed patterns. You can do this by going to the menu Pattern > Optimize Fit or by clicking on the Optimize Fit button on the toolbar. This will start an iterative process where the software will adjust the parameters according to a least-squares algorithm until it reaches a minimum value of chi-square (χ2), which is a measure of goodness-of-fit.



  • After the optimization is done, you will see a message saying "Optimization finished". You can then check your results by looking at various plots and statistics that show how well your model fits your data. You can also compare your refined parameters with the reference values from the database and see if they agree within reasonable errors.



Congratulations! You have successfully performed Rietveld refinement with Xpert Highscore Plus Software 181. You can repeat these steps for other samples as well.


Conclusion




In this article, we have introduced you to Xpert Highscore Plus Software 181, a comprehensive and user-friendly tool for X-ray diffraction analysis. We have shown you how to install and use this software for various XRD applications, such as phase identification, crystallographic analysis, cluster analysis, and Rietveld refinement. We have also given you some examples and tips on how to perform these tasks using a sample of alumina.


We hope that this article has been helpful and informative for you. If you want to learn more about Xpert Highscore Plus Software 181 or other XRD software products from Malvern Panalytical, please visit their website or contact their sales team. You can also check out their user documentation and tutorial videos for more guidance and support.


Thank you for reading this article and happy XRD analysis! d282676c82


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