Your literature reference is most likely publishing Ka1 values, but there is no guarantee. In reality, a pharmaceutical compound measured on a laboratory XRD will not have enough resolution to separate Ka1 and Ka2. There are two main reasons for this. First, the relatively large unit cells, low symmetry and weak scattering amplitudes of organic compounds means all the distinct peaks will be at low angles where there isn't enough angular dispersion to separate the wavelengths. Second, the transparency of organic compounds to X-rays causes a de-focusing of the peak at the detector, the extent of which depends on the sample thickness. If you want to strip Ka2 you need to properly model for transparency.
My recommendation would be to use whatever technique is easiest, e.g. Ka1 throughout and determine peak positions with max intensity. Even though it is not the most precise method it should give you the results you need. Jeff Nicolich On Mon, Jan 7, 2019 at 3:07 PM Nelsonsd <nelson.dua...@ipn.pt> wrote: > Dear colleagues > > I have a small question about conversion of copper to cobalt radiation. > > I have characteristic peaks of a Pharmaceutic API (literature) in copper > radiation and I need to convert in cobalt radiation, can I use in ka1 of > copper (1.54056 A) and Ka1 of cobalt or the best way is use Ka (ave) > (1.54184 A) of copper and cobalt ? > > Thanks in advance > > > > Best regard > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com > > > Send commands to <lists...@ill.fr> eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > >
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
