Hi Matteo, Thanks for the wonderful suggestion.
Regards Apu On 5/5/14, Leoni, Matteo <matteo.le...@unitn.it> wrote: > .. perhaps I am not getting the point or it's just too stupid to be > effective... but can't you just get the integrated intensity of the peak > versus temperature and extrapolate down to zero? If you are really brave, > just do it parametrically after you have done it free > > Matteo > > ----------------------------------------------------------------- > > Matteo Leoni, PhD > > DICAM > University of Trento > via Mesiano, 77 > 38123 Trento > Italy > > Tel +39 0461 282416 Fax +39 0461 282672 > > e-mail: matteo.le...@unitn.it > ---------------------------------------------------------------- > > > -----Messaggio originale----- > Da: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] Per conto > di Apu Sarkar > Inviato: lunedì 5 maggio 2014 2.48 > A: Tony Wang > Cc: ILL Forum > Oggetto: Re: Phase volume fraction > > Hi Tony, > > Thanks for your suggestion. > > Yes, I tried scanning the major peak of the second phase with increasing > temperature. I have good data. However, still I have the doubt of detecting > the exact temperature of dissolution of the second phase. > > Looking forward to meet you at AIF. > > Best regards > Apu > > On 5/3/14, Tony Wang <ian...@126.com> wrote: >> Hi Apu, >> >> >> >> As you are running in situ scanning you probably cannot scan the >> sample for long time. >> >> If you are only care about the accurate phase transforming >> temperature, you can localize the scan range to the major peak for >> your second phase, which will largely improve the detection limit, as >> Matteo suggested. >> >> Building some external calibration line may also help. >> >> >> >> Xiaodong (Tony) Wang >> >> Curtin University, coming to AIF >> >> >> >> From: rietveld_l-ow...@ill.fr [mailto:rietveld_l-ow...@ill.fr] On >> Behalf Of Kurt Leinenweber >> Sent: 2014年5月4日 6:05 >> To: Habib Boughzala; ILL Forum >> Subject: RE: Phase volume fraction >> >> >> >> Hi all, >> >> >> >> I think looking at the small diffraction peaks (or bumps) of the >> low-fraction phase, and comparing them to any bumps that may or may >> not be present in the actual data, could go a long way. But I do >> agree that some more scientific analysis of the reliability of a very >> low phase fraction would be merited. >> >> >> >> - Kurt >> >> >> >> _____ >> >> From: rietveld_l-requ...@ill.fr [rietveld_l-requ...@ill.fr] on behalf >> of Habib Boughzala [habib.boughz...@ipein.rnu.tn] >> Sent: Saturday, May 03, 2014 9:23 PM >> To: ILL Forum >> Subject: Re: Phase volume fraction >> >> >> Hi everybody, >> >> >> >> I am very septic about the 1% of QPA detection limit and even less the >> 0.1% in QPA e.s.d. since GSAS, FP, TOPAS, etc give different results >> for the same sample with the same treatment. >> >> So I thing that we need drastically some scientific output in this field. >> >> >> >> Regards >> >> Habib >> >> >> >> Pr. Habib Boughzala >> >> I.P.E.I. Nabeul >> >> F.S.T Faculté des Sciences de Tunis >> >> A.T.C. Association Tunisienne de Cristallographie >> >> Tel 216 20523595 >> >> >> >> -------Original Message------- >> >> >> >> From: Leonid Solovyov <mailto:l_solov...@yahoo.com> >> >> Date: 02/05/2014 03:06:35 >> >> To: rietveld_l@ill.fr >> >> Subject: Re: Phase volume fraction >> >> >> >> Dear Martin, >> >> >> >> The main problems of the e.s.u. expressions used in Rietveld programs >> are the neglect of correlations between residuals and the loss of >> interrelations between particular residuals and particular parameters >> in terms of their mutual influence. >> >> Some references on the topic: >> >> J. Appl. Cryst. (1979). 12, 554-563 >> >> Acta Cryst. (1982). A38, 264-269 >> >> J. Appl. Cryst. (1983). 16, 159-163 >> >> J. Appl. Cryst. (1986). 19, 10-18 >> >> J. Appl. Cryst. ( 1991). 24, 1-5 >> >> J. Appl. Cryst. (1994). 27, 802-844 >> >> >> >> Best regards, >> >> Leonid >> >> ******************************************************* >> >> Leonid A. Solovyov >> Institute of Chemistry and Chemical Technology 660036, Akademgorodok >> 50/24, Krasnoyarsk, Russia >> <http://sites.google.com/site/solovyovleonid> >> http://sites.google.com/site/solovyovleonid >> ******************************************************* >> >> _____ >> >> From: Martin Fisch <m_fi...@bluewin.ch> >> To: Leonid Solovyov <l_solov...@yahoo.com> >> Sent: Friday, May 2, 2014 2:59 PM >> Subject: Re: Phase volume fraction >> >> >> >> Hi Leonid >> >> Everyone says that Rietveld s.u.'s are underestimated. Why is this? Is >> there any reference to this? >> >> Cheers, >> Martin >> >> >> >> On 02.05.2014 09:57, Leonid Solovyov wrote: >> >> Dear Apu, >> >> >> >> If you use the Rietveld-based QPA you may assess the detection limit >> for a phase from the estimated standard uncertainty of its weight (or >> volume) fraction. In this case one should also take into account the >> fact that the Rietveld standard uncertainties of QPA are underestimated >> about 2-3 times. >> To have more realistic uncertainties you may use DDM: >> >> http://sites.google.com/site/ddmsuite/ >> >> http://sourceforge.net/p/ddmsuite >> >> >> >> Best regards, >> >> Leonid >> >> >> >> ******************************************************* >> Leonid A. Solovyov >> Institute of Chemistry and Chemical Technology 660036, Akademgorodok >> 50/24, Krasnoyarsk, Russia >> <http://sites.google.com/site/solovyovleonid> >> http://sites.google.com/site/solovyovleonid >> ******************************************************* >> >> _____ >> >> From: Apu Sarkar <mailto:apusar...@gmail.com> <apusar...@gmail.com> >> To: "Leoni, Matteo" <mailto:matteo.le...@unitn.it> >> <matteo.le...@unitn.it> >> >> Cc: <mailto:rietveld_l@ill.fr> "rietveld_l@ill.fr" >> <mailto:rietveld_l@ill. >> fr> <rietveld_l@ill.fr> >> Sent: Friday, May 2, 2014 3:41 AM >> Subject: Re: Phase volume fraction >> >> >> Yes, I meant detection limit. >> In my sample I have a second phase which dissolves at some >> temperature. I tried to identify the dissolution temperature using >> XRD. With increasing temperature the peak intensity for the second >> phase decreased. After certain temperature the peak disappeared. I >> understand that is not exactly the dissolution temperature. There is a >> limit of XRD to detect the phase. >> >> Thanks >> Apu >> >> Department of Nuclear Engineering >> NC State University >> Raleigh, USA >> >> >> >> On 5/1/14, Leoni, Matteo <matteo.le...@unitn.it> wrote: >>> I guess you are talking about detection limit only, not >>> quantification limit, right? >>> The answer largely depends on your material (scattering power, domain >> size), >>> tube (sampling volume) and counting time. I have seen cases where you >>> can clearly see something below 0.1 wt% and cases where already the >>> percent >> was >>> off limits. >>> Matteo >>> >>> ----------------------------------------------------------------- >>> >>> Matteo Leoni, PhD >>> >>> DICAM >>> University of Trento >>> via Mesiano, 77 >>> 38123 Trento >>> Italy >>> >>> Tel +39 0461 282416 Fax +39 0461 282672 >>> >>> e-mail: matteo.le...@unitn.it >>> ---------------------------------------------------------------- >>> >>> >>> -----Messaggio originale----- >>> Da: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] Per >>> conto di Apu Sarkar >>> Inviato: giovedì 1 maggio 2014 22.24 >>> A: rietveld_l@ill.fr >>> Oggetto: Phase volume fraction >>> >>> Hi, >>> Can any one tell me what is the minimum phase volume fraction that >>> can be detected by a laboratory X-ray diffractometer. In there any >>> reference for this. >>> >>> I am using the new Empyrean from PANalytical. >>> >>> Thanks >>> Apu >>> >>> Department of Nuclear Engineering >>> NC State University >>> Raleigh, USA >>> >> >> >> -- >> Apu Sarkar >> Postdoctoral Research Scholar >> Department of Nuclear Engineering >> North Carolina State University >> >> >> Raleigh >> USA >> >> >> Mobile: 919-561-9244 >> Website: https://sites.google.com/a/ncsu.edu/apu/ >> >> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> 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/ >> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> >> >> >> >> >> >> >> >> >> >> >> >> <http://www.incredimail.com/app/?tag=IM2_Default_Stamp_EN&id=509&lang= >> 9&did= >> 10500&ppd=2672,201106231034,1125,1,1953940704990396415&rui=156769540&a >> pp_tes >> t_id=0&sd=20140503> >> >> > > > -- > Apu Sarkar > Postdoctoral Research Scholar > Department of Nuclear Engineering > North Carolina State University > Raleigh > USA > Mobile: 919-561-9244 > Website: https://sites.google.com/a/ncsu.edu/apu/ > -- Apu Sarkar Postdoctoral Research Scholar Department of Nuclear Engineering North Carolina State University Raleigh USA Mobile: 919-561-9244 Website: https://sites.google.com/a/ncsu.edu/apu/
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
