For example TiO2 films in as deposited condition shows amorphous nature with some peaks. In order to supress the background and identify the peak positions can we smoothen this XRD data?
Of course you can, but many things which one is able to do are not to be recommended. Genereally I discourage background subtraction for X-ray diffraction (and as a reviewer I insist that background is not subtracted without further comment). Also smoothing is usually uneccesary and not recommended (except for special purposes like deconvolution (I do not mean peak decomposition)). Reasons:
1. Peak fitting (for peak position determination) works also with noisy data, and you will NOT improve the result by smoothing or background subtraction.
2. Data maninpulation without further ado obstructs the statistics (e.g. wRp values) and residual values get meaningless.
3. If data are presented they should be shown "as measured" so that the reader can develop a feeling about data quality. Sometimes background subtraction can help to present the data, but then it must be transparent what has been done.
General note: of course with diffraction data from amorphous materials separation of background and "peaks" is difficult, and the meaning of the peak position is not that obvious as for data from crystalline material.
Of course you can, but many things which one is able to do are not to be recommended. Genereally I discourage background subtraction for X-ray diffraction (and as a reviewer I insist that background is not subtracted without further comment). Also smoothing is usually uneccesary and not recommended (except for special purposes like deconvolution (I do not mean peak decomposition)). Reasons:
1. Peak fitting (for peak position determination) works also with noisy data, and you will NOT improve the result by smoothing or background subtraction.
2. Data maninpulation without further ado obstructs the statistics (e.g. wRp values) and residual values get meaningless.
3. If data are presented they should be shown "as measured" so that the reader can develop a feeling about data quality. Sometimes background subtraction can help to present the data, but then it must be transparent what has been done.
General note: of course with diffraction data from amorphous materials separation of background and "peaks" is difficult, and the meaning of the peak position is not that obvious as for data from crystalline material.
For phase identification of the crystalline mater part of your XRD you can use the High Score Plus, PDXL or ICDD and Jade softwares.
Certainly you can, by the software of your instrument, software for XRD pattern sketching, or by general sketching software. usually you find "smoothing" option in some menu, signal processing or by right click. you can also remeasure with lower resolution. As Andreas Leineweber says, it is not recommended any way without persuasive reason for chart modification. Also there are many ways to reduce background you can find them elsewhere.
No you dont... U can fit the amorphous hump by increase the polynomial terms... or add peak to fit the amorphous hump (this procedure depend on software)
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