Yes Frank, the macro is working with V5 of TOPAS-Academic; TOPAS should be the same.
Cheers Alan -----Original Message----- From: Frank Girgsdies <girgs...@fhi-berlin.mpg.de> Sent: Monday, September 4, 2023 7:09 PM To: alancoe...@bigpond.com Cc: rietveld_l@ill.fr Subject: Re: [EXT] Re: [External] Re: Step-like basline Dear Alan, Is this updated macro downward compatible with TOPAS version 5? If yes, I would edit my topas.inc and try it. Thanks and cheers, Frank On 04.09.2023 10:44, <mailto:alancoe...@bigpond.com> alancoe...@bigpond.com wrote: > Hi Kurt > > TOPAS models absorption edges well. Page 158 of the Technical > Reference at <http://www.topas-academic.net/Technical_Reference.pdf> > http://www.topas-academic.net/Technical_Reference.pdf > < <http://www.topas-academic.net/Technical_Reference.pdf> > http://www.topas-academic.net/Technical_Reference.pdf> shows the result. > > The macro in question is modifies the emission profile which is how I > think it should be modelled: > > macro Absorption_Edge_Correction_Eqn(& edge, & a_white, & b_white, & > a_erf, & edge_extra) > > { > > modify_peak_eqn = > > ( > > Get(current_peak) + > > a_white Exp(- b_white (Get(current_peak_x) - edge)^2) / > Tan(Th) > > ' Not necessary > > ' If(Get(current_peak_x) < edge, 1/Get(current_peak_x)^3, > 1 ) > > ) > > (edge_extra + 0.5 (1 + Erf_Approx( a_erf > (Get(current_peak_x) > - edge))) ); > > } > > If someone spots a problem then I would be happy to know. The line > commented out is due to the fact it makes little difference to the result. > > Cheers > > Alan > > *From:*rietveld_l-requ...@ill.fr < <mailto:rietveld_l-requ...@ill.fr> > rietveld_l-requ...@ill.fr> *On > Behalf Of *Kurt Leinenweber > *Sent:* Monday, September 4, 2023 2:53 AM > *To:* Thomas Gegan < <mailto:tom.ge...@basf.com> tom.ge...@basf.com>; Bish, > David L > < <mailto:b...@indiana.edu> b...@indiana.edu>; Shay Tirosh < > <mailto:stiro...@gmail.com> stiro...@gmail.com>; Fernando Igoa > < <mailto:fer.igoa.1...@gmail.com> fer.igoa.1...@gmail.com> > *Cc:* Rietveld List ( <mailto:rietveld_l@ill.fr> rietveld_l@ill.fr) < > <mailto:rietveld_l@ill.fr> rietveld_l@ill.fr> > *Subject:* RE: [EXT] Re: [External] Re: Step-like basline > > Hi, Are these things modeled in Rietveld programs, by chance? It > seems like a lot of baggage to put in a refinement but if it makes the > results better… > > * Kurt > > *From:*rietveld_l-requ...@ill.fr < <mailto:rietveld_l-requ...@ill.fr> > mailto:rietveld_l-requ...@ill.fr> > < <mailto:rietveld_l-requ...@ill.fr%20%3cmailto:rietveld_l-requ...@ill.fr> > rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> *On > Behalf Of *Thomas Gegan > *Sent:* Sunday, September 3, 2023 9:16 AM > *To:* Bish, David L < <mailto:b...@indiana.edu%20%3cmailto:b...@indiana.edu> > b...@indiana.edu <mailto:b...@indiana.edu>>; Shay > Tirosh < <mailto:stiro...@gmail.com%20%3cmailto:stiro...@gmail.com> > stiro...@gmail.com <mailto:stiro...@gmail.com>>; Fernando Igoa > < <mailto:fer.igoa.1...@gmail.com%20%3cmailto:fer.igoa.1...@gmail.com> > fer.igoa.1...@gmail.com <mailto:fer.igoa.1...@gmail.com>> > *Cc:* Rietveld List ( <mailto:rietveld_l@ill.fr> rietveld_l@ill.fr < > <mailto:rietveld_l@ill.fr> mailto:rietveld_l@ill.fr>) > < <mailto:rietveld_l@ill.fr%20%3cmailto:rietveld_l@ill.fr> rietveld_l@ill.fr > <mailto:rietveld_l@ill.fr>> > *Subject:* RE: [EXT] Re: [External] Re: Step-like basline > > I agree with a Ni absorption edge, possibly with a Kβ peak around 38° 2θ. > > *Tom Gegan* > Chemist III > > Phone: +1 732 205-5111, Email: <mailto:tom.ge...@basf.com> > tom.ge...@basf.com > < <mailto:tom.ge...@basf.com> mailto:tom.ge...@basf.com> Postal Address: BASF > Corporation, , 25 > Middlesex Essex Turnpike, 08830 Iselin, United States > > *From:*rietveld_l-requ...@ill.fr < <mailto:rietveld_l-requ...@ill.fr> > mailto:rietveld_l-requ...@ill.fr> > < <mailto:rietveld_l-requ...@ill.fr%20%3cmailto:rietveld_l-requ...@ill.fr> > rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> *On > Behalf Of *Bish, David L > *Sent:* Sunday, September 3, 2023 7:08 AM > *To:* Shay Tirosh < > <mailto:stiro...@gmail.com%20%3cmailto:stiro...@gmail.com> stiro...@gmail.com > <mailto:stiro...@gmail.com>>; > Fernando Igoa <fer.igoa.1...@gmail.com > < <mailto:fer.igoa.1...@gmail.com> mailto:fer.igoa.1...@gmail.com>> > *Cc:* Rietveld List ( <mailto:rietveld_l@ill.fr> rietveld_l@ill.fr < > <mailto:rietveld_l@ill.fr> mailto:rietveld_l@ill.fr>) > < <mailto:rietveld_l@ill.fr%20%3cmailto:rietveld_l@ill.fr> rietveld_l@ill.fr > <mailto:rietveld_l@ill.fr>> > *Subject:* [EXT] Re: [External] Re: Step-like basline > > > > Some people who received this message don't often get email from > <mailto:b...@indiana.edu> b...@indiana.edu < <mailto:b...@indiana.edu> > mailto:b...@indiana.edu>. Learn why this is > important > <https://urldefense.com/v3/__https:/aka.ms/LearnAboutSenderIdentificat > ion__;!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL3Gc > xiyD83i2mnNN0Z48HPkn4zjKqH-aqqA$> > > > > Hello Shay, > > I think it is probably related to "tube tails". You can read about > this in the literature (e.g., on the BGMN web site) and you can model > it in some Rietveld software such as Topas. You don't normally notice > this but it becomes apparent with higher-intensity peaks. > > Regards, > > Dave > > ---------------------------------------------------------------------- > -- > > *From:*rietveld_l-requ...@ill.fr < <mailto:rietveld_l-requ...@ill.fr> > mailto:rietveld_l-requ...@ill.fr> > < <mailto:rietveld_l-requ...@ill.fr%20%3cmailto:rietveld_l-requ...@ill.fr> > rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> on > behalf of Fernando Igoa <fer.igoa.1...@gmail.com > < <mailto:fer.igoa.1...@gmail.com> mailto:fer.igoa.1...@gmail.com>> > *Sent:* Sunday, September 3, 2023 3:06 AM > *To:* Shay Tirosh < > <mailto:stiro...@gmail.com%20%3cmailto:stiro...@gmail.com> stiro...@gmail.com > <mailto:stiro...@gmail.com>> > *Cc:* Rietveld List ( <mailto:rietveld_l@ill.fr> rietveld_l@ill.fr < > <mailto:rietveld_l@ill.fr> mailto:rietveld_l@ill.fr>) > < <mailto:rietveld_l@ill.fr%20%3cmailto:rietveld_l@ill.fr> rietveld_l@ill.fr > <mailto:rietveld_l@ill.fr>> > *Subject:* [External] Re: Step-like basline > > This message was sent from a non-IU address. Please exercise caution > when clicking links or opening attachments from external sources. > > Hey Shay, > > Are you using a motorized slit during the measurement? These may open > up abruptly to compensate for the angular dependence of the footprint > and thus generate an abrupt increase in the intensity. > > Hope it helps :) > > On Sun, Sep 3, 2023, 8:50 AM Shay Tirosh <stiro...@gmail.com > < <mailto:stiro...@gmail.com> mailto:stiro...@gmail.com>> wrote: > > Dear Rietvelders > > I am attaching a zoom-in on a diffraction profile. > > My question is what is the origin of the step-like profile next to a > very large reflection peak? > > Is it a sample preparation problem? > > Is it part of the baseline? > > Thanks > > Shay > > -- > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list > < > <mailto:alan.he...@neutronoptics.com%20%3cmailto:alan.he...@neutronoptics.com> > alan.he...@neutronoptics.com <mailto:alan.he...@neutronoptics.com>> > Send commands to < <mailto:lists...@ill.fr%20%3cmailto:lists...@ill.fr> > lists...@ill.fr <mailto: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.mail-archive.com/rietveld_l@ill.fr/ > < > <https://urldefense.com/v3/__http:/www.mail-archive.com/rietveld_l@ill.fr/__;!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL3GcxiyD83i2mnNN0Z48HPkn4zjJTf8rNHg$> > > https://urldefense.com/v3/__http:/www.mail-archive.com/rietveld_l@ill.fr/__;!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL3GcxiyD83i2mnNN0Z48HPkn4zjJTf8rNHg$> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list > < <mailto:alan.he...@neutronoptics.com> alan.he...@neutronoptics.com> Send > commands to < <mailto:lists...@ill.fr> 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.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >
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