XRD.US provides a full range of powder diffraction services. Our services range from simple powder diffraction data collection to advanced powder methods, including  ab initio structure determination, quantitative phase analysis, Rietveld structure refinement, grazing incidence diffraction, high temperature diffraction etc. Importantly, the outcome of our services is not what is normally expected from a commercial laboratory. We will provide you with well presented research grade reports, suitable for publication purposes. If needed we will perform all the analyses according to the ASTM.  The services which we offer are, in fact, a piece of scientific work for a fraction of fee usually charged by university departments. 

If you are preparing proposals for the federal funding agencies, or a proposal for some beam time at a synchrotron source or at a neutron diffraction facility,  we can help you with the preparation of the sections related to diffraction methods, experiments etc.

Brief description of services are shown in the Table below

Services Brief Description
Single crystal data acquisition Experienced crystallographer will collect single crystal diffraction data, determine cell and space group symmetry, apply necessary corrections and data reduction. We will provide lowest possible Rmerge (Rint)hkl file with required resolution, determine possible twin laws... read more
Single crystal structure determination Complete structure determination and reporting suitable for publication in Acta Cryst or any other journal... read more
Powder data acquisition

We will measure the diffraction pattern of  your samples as supplied, size-fractionated or as otherwise instructed by you using following types of diffraction equipment: (1) Laboratory X-ray diffractometer, (2) Synchrotron radiation source, (3) Neutron diffractometer.

The raw data files will be collected with required scan parameters (step size, radiation source, wavelength etc), ASCII formatted  and mailed to you ...read more


Phase identification We will identify the crystalline phases present in your sample using our XRD data or your supplied data file...read more


Phase quantification We will quantitatively determine weight (volume) percentage of crystalline and amorphous phases present in your sample...read more


Rietveld structure Refinement Structure refinement by Rietveld method...read more


Ab initio structure determination Suitable single crystals are not always available for structure determination. We can try to solve the structure using only powder data by ab-initio methods. Ab initio method is often required for  promising drug candidates...read more


Hardware and software consulting Advice on what type of diffraction equipment to purchase or to use. Advice on most suitable software for data acquisition, analysis...read more


Consulting on crystallography and diffraction: theory and computational methods Crystallography, diffraction theory implication for powder diffraction and problems you want to solve: how to use diffraction equipment, software, how to interpret the results...read more





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XRD.US    52 Papania Drive, Mahopac, New York 10541  USA. (Ph  845 661 1421. Fax 845 628 8461)