X-Ray is nanometer-scale electromagnetic waves and has very high energy. This X-ray has a wavelength of 1,00 Å and it is between gamma rays (γ) and ultraviolet light wavelengths. X-rays are produced if high-speed electrons crash or hit a target in the form of metal (Figure 1). High-speed electrons fired at the electrons in the 1s orbitals will make an electron excitation, where the electrons undergo flitting from sub-shell low energy to higher energy and make the electron emptiness in the 1s orbitals. The filling of electrons in the empty orbitals from higher energy will produce an X-ray beam.
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| Figure 1. The process of X-Ray form |
The result X-rays give a certain peak intensity depending on the possibility of the electron transition happened. The Kα transition is more likely to occur and has a higher intensity than the Kβ transition, so most of the Kα radiation used as material identification needs through X-ray diffraction experiments.
CuKa radiation generally has a wavelength of 1,5042 Å. X-ray diffraction experiments generally require x-ray wavelengths from sequences ranging from interatomic distances in the sample test to the nanometer range to produce interference like diffraction. X-ray diffraction is one technique for analyzing crystalline solids where the output data is varied; for example, the compound phase.
X-ray diffraction has now taken an important role as the foundation of science since the twentieth century. Its development certainly has accelerated the development of science, especially in the field of solids, and provides a pathway to find out about chemical bonds in a material. Based on information from Crystal Impact that, in 2019, COD (crystalographic open database) XRD powder data that has been available as many as 402787 total entries integrated with Powder Diffraction File (PDF) is now called the International Center of Diffraction Data (ICDD).
We provide XRD Data Analysis Services for Singapore region that are ready to serve starting from research projects for government, universities, non-government organizations (NGOs), or for those of you who are conducting field research, theses, dissertations, and anything related to XRD data analysis.
Analysis of XRD data is used for sample characterization or to determine the microstructural characteristics of the material such as identification of compound phases, identification of crystalline phases percentage, crystal size, and crystal structure consisting of lattice parameters and space group of materials. There are three kinds of XRD data analysis services. It is qualitative analysis, quantitative analysis and modeling/visualization of crystal structures.
The software we use to analyzing XRD data and modeling / visualizing the material's crystal structure is:
- Match! 2 / Match! 3 – The new software version from crystal impact to identification XRD data with fully equipped database:
- COD-20190329.
- COD-Inorganic-20190329
- COD-Cements-20140730
- Full Proof 2018 – The software for analyzing XRD data using the Rietveld method (quantitative analysis)
- Diamond 4 – The software for modeling/visualizing of crystal structureMAUD 2019 - The software for analyzing XRD data using the Rietveld method (quantitative analysis)
- Origin 2019 – Analyzing and graphing software
The steps to be taken by the client to use our XRD data analysis services is as follows:
- The client provides an overview of the sample history used in the research process and provides an overview of what phases of the compound are expected to appear in the results of the material synthesis carried out.
- If the material that has been tested for XRD is in the form of minerals (elements or compounds taken from nature), it is recommended to conduct an XRF (X-Ray Fluorescence) test first so that the raw material is known to the elements contained.
- Clients attach XRD test result data in the .rd or .raw extension. If the resulting extension is different, then it is recommended to convert to the extension .rd or .raw. If the resulting extension is different, then at least have an excel data or output file extension from the analysis of the XRD engine used.
For the price of XRD Data Analysis services, we divide it into three parts of analysis; it is a qualitative analysis of XRD data, quantitative analysis of XRD data, and modeling / visualizing of crystal structures. Also, the price of services depends on the level of difficulty and the data output that the client wants. Here is a list of prices we offer:
- Qualitative Analysis
- Quantitative Analysis
- Modeling / Visualizing of crystal structure
*For the negotiation process, let us chat on WhatsApp
Here is the information that clients can get from the results of our XRD analysis depending on the type of analysis desired:
- The identification results of crystalline compounds or phases contained in the sample.
- Percentage of crystalline phase in natural minerals and synthesized samples.
- Identification of crystal structures (space group and crystal lattice parameters)
- The average crystal size distribution of several XRD peaks identified from the diffractogram of the test sample.
- The Rietveld refinement results of global parameters include Rp, Rwp, Rexp, Chi2, lattice parameters, the volume of unit cells, density, Wyckoff and APF (Atomic Packing Factor).
Here are some examples of the analysis results that we have done starting from the analysis of qualitative XRD data, quantitative XRD data analysis, and modeling of crystal structures:
The Results of Qualitative Analysis of XRD Data
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| Gambar 2. XRD Pattern result of Clay |
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| Gambar 3. XRD Pattern result of multiphase |
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| Figure 4. XRD Pattern result of Hematite (Alpha-Fe2O3) |
The Results of Quantitative Analysis of XRD Data
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| Figure 5. The quantitative analysis (Rietveld Refinement Method) result of ZnMnO using FullProf + Match! |
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| Figure 6. The quantitative analysis (Rietveld Refinement Method) result of ZnMnO 0.05 % using MAUD |
The Results Modeling / Visualizing of Crystal Structure
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| Figure 7. Crystal Structure Visualization of Hematite (alpha-Fe2O3) using Diamond 4 |
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| Figure 9. Crystal Structure Visualization of Titanium Oxide (TiO2/anatase) using Diamond 4 |
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| Figure 10. Crystal Structure Visualization of Zinc Oxide (ZnO) using Diamond 4 |
The payment process for our XRD Data Analysis Services (Rietveld Refinement) we can accept payment by transfer via Paypal (muhrizalfahlepy@gmail.com). If the price has an agreement between the service provider and the client, payment must do together with the send of raw XRD data from the particular instrument to be analyzed.
If there are errors or the results of the analysis are different than expected, we accept revisions two times for free. Sending the results of XRD data analysis both qualitatively, quantitatively and modeling crystal structure later via e-mail (soft file) of the client. So, for those of you who need our XRD Data Analysis Service, please click listed contact above, thank you.
