Unrestricted Document Modeling of the absorption edge is also available in HighScore Plus v5.x
However, as some have said, it is much better to avoid this artifact altogether. The energy discriminating linear detectors are good at filtering spectral contamination without introducing these artifacts, but with two caveats: 1) none of them completely remove the K-beta (even though they claim to); and 2) there is a residual spectral hump under the peaks from Bremsstrahlung with wavelengths close to K-alpha which needs to be modelled (HighScore and Topas can model this; I assume GSAS-II can too). The best data quality that I have seen, without sacrificing the speed from the linear PSD, comes by combining an incident beam monochromator with the energy discriminating linear detector. The most common incident-beam monochromator now seems to be the flat Gobel mirror, which removes quite a lot of the spectral contamination while preserving the divergent beam for parafocusing geometry. The detector then removes what remains, plus fluoresced noise from the specimen. This can match the data collection speed of a system using just a foil beta filter, but with much better spectral purity and therefore data quality. It does make me wonder what happened to the humble incident-beam graphite monochromator? I know it was not as popular as the diffracted-beam monochromator, but it seems that it would also be a good complement to the energy discriminating linear detector and would be more flexible than a mirror for accommodating different X-ray tubes. Best Regards, Scott A Speakman, PhD XRD Principal Scientist Tel: +1 800 279-7297 Mob: +1 508 361-8121 Malvern Panalytical Inc. 2400 Computer Drive, Ste. 2100 Westborough MA 01581 United States scott.speak...@malvernpanalytical.com www.malvernpanalytical.com LinkedIn - https://nl.linkedin.com/company/malvernpanalytical/ Twitter - https://twitter.com/newsfrom_MP/ Facebook - https://www.facebook.com/MalvernPanalytical/ YouTube - https://www.youtube.com/MalvernPanalytical/ Blog - https://www.materials-talks.com/ This email and any files transmitted with it are confidential and maybe legally privileged. Such message is intended solely for the use of the individual or entity to whom they are addressed. Please notify the originator of the message if you are not the intended recipient and destroy all copies of the message. Please note that any use, dissemination, or reproduction is strictly prohibited and may be unlawful. The way we want to do business: Our Code of Business Ethics ( https://www.malvernpanalytical.com/en/about-us/about-malvern-panalytical/corporate-citizenship/ethics/ ) Unrestricted Document -----Original Message----- From: rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> On Behalf Of Reinhard Kleeberg Sent: Monday, September 4, 2023 2:19 AM To: rietveld_l@ill.fr Subject: Re: [EXT] Re: [External] Re: Step-like basline CAUTION: This email originated from outside of the organization. Do not click links or open attachments unless you recognize the sender and know the content is safe. Can be modeled in the BGMN peak profile model as well, by modifying the *.lam file by a series of additional Lorentzians on the 1/lambda scale, see figure. The same can be done for other spectral impurities, e.g. W L satellites. Also "electronic effects" on the wavelength distribution profile like the "edges" from the ROI settings of Si drift detectors can be modelled in such a convolution based approach. However, better to have a pure/simple wavelength distribution (clear alpha1/2 doublet) by a monochromator or high energy resolution detector, as any satellites make trouble in trace phase analysis and do cause prolonged calculation time in complicated Rietveld refinements. Reinhard Zitat von Matthew Rowles <rowle...@gmail.com>: > Topas can model them quite well. The functionality was introduced in > version 5. > > On Mon, 4 Sep 2023, 00:54 Kurt Leinenweber, <ku...@asu.edu> wrote: > >> 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 <rietveld_l-requ...@ill.fr> *On >> Behalf Of *Thomas Gegan >> *Sent:* Sunday, September 3, 2023 9:16 AM >> *To:* Bish, David L <b...@indiana.edu>; Shay Tirosh >> <stiro...@gmail.com>; Fernando Igoa <fer.igoa.1...@gmail.com> >> *Cc:* Rietveld List (rietveld_l@ill.fr) <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: tom.ge...@basf.com Postal Address: >> BASF Corporation, , 25 Middlesex Essex Turnpike, 08830 Iselin, United >> States >> >> >> >> *From:* rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> *On >> Behalf Of *Bish, David L >> *Sent:* Sunday, September 3, 2023 7:08 AM >> *To:* Shay Tirosh <stiro...@gmail.com>; Fernando Igoa < >> fer.igoa.1...@gmail.com> >> *Cc:* Rietveld List (rietveld_l@ill.fr) <rietveld_l@ill.fr> >> *Subject:* [EXT] Re: [External] Re: Step-like basline >> >> >> >> Some people who received this message don't often get email from >> b...@indiana.edu. Learn why this is important >> <https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fur >> ldefense.com%2Fv3%2F__https%3A%2Faka.ms%2FLearnAboutSenderIdentificat >> ion__%3B!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL >> 3GcxiyD83i2mnNN0Z48HPkn4zjKqH-aqqA%24&data=05%7C01%7Cscott.speakman%4 >> 0malvernpanalytical.com%7C11f719350f444f62ed9408dbad0ecc94%7C071061f3 >> d56946889edeb63a6a7f1ecc%7C0%7C0%7C638296923595505926%7CUnknown%7CTWF >> pbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6 >> Mn0%3D%7C3000%7C%7C%7C&sdata=grV1B6okFJFk2iUR5xNfeyh0AJQ%2B%2BikVJ0G0 >> 1EjjHw8%3D&reserved=0> >> >> 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 <rietveld_l-requ...@ill.fr> on >> behalf of Fernando Igoa <fer.igoa.1...@gmail.com> >> *Sent:* Sunday, September 3, 2023 3:06 AM >> *To:* Shay Tirosh <stiro...@gmail.com> >> *Cc:* Rietveld List (rietveld_l@ill.fr) <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> 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 >> <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 >> https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww. >> mail-archive.com%2Frietveld_l%40ill.fr%2F&data=05%7C01%7Cscott.speakm >> an%40malvernpanalytical.com%7C11f719350f444f62ed9408dbad0ecc94%7C0710 >> 61f3d56946889edeb63a6a7f1ecc%7C0%7C0%7C638296923595505926%7CUnknown%7 >> CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJX >> VCI6Mn0%3D%7C3000%7C%7C%7C&sdata=61w5FDW5lqXUkh%2Bf%2Bmbjfuc8MJbbNrV% >> 2FllbH5yv3Lv0%3D&reserved=0 >> <https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fur >> ldefense.com%2Fv3%2F__http%3A%2Fwww.mail-archive.com%2Frietveld_l%40i >> ll.fr%2F__%3B!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71 >> nxuOL3GcxiyD83i2mnNN0Z48HPkn4zjJTf8rNHg%24&data=05%7C01%7Cscott.speak >> man%40malvernpanalytical.com%7C11f719350f444f62ed9408dbad0ecc94%7C071 >> 061f3d56946889edeb63a6a7f1ecc%7C0%7C0%7C638296923595505926%7CUnknown% >> 7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJ >> XVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=uVqZKHRCyQVM8fkVgmdgGF%2F22QecNeLKO >> OGpivsH8HQ%3D&reserved=0> >> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> >> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> 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 >> https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww. >> mail-archive.com%2Frietveld_l%40ill.fr%2F&data=05%7C01%7Cscott.speakm >> an%40malvernpanalytical.com%7C11f719350f444f62ed9408dbad0ecc94%7C0710 >> 61f3d56946889edeb63a6a7f1ecc%7C0%7C0%7C638296923595505926%7CUnknown%7 >> CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJX >> VCI6Mn0%3D%7C3000%7C%7C%7C&sdata=61w5FDW5lqXUkh%2Bf%2Bmbjfuc8MJbbNrV% >> 2FllbH5yv3Lv0%3D&reserved=0 >> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> >> -- TU Bergakademie Freiberg Dr. R. Kleeberg Mineralogisches Labor Brennhausgasse 14 D-09596 Freiberg Tel. ++49 (0) 3731-39-3244 Fax. ++49 (0) 3731-39-3129
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
