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Пікірлер
@MichaelHaberl-w2o 4 күн бұрын
Dankeschön für diese großartige Einführung in das Programm! (Thank you very much for the great introduction to this program!) Great to see that Profex can directly fit data recorded with automatic divergence slits (at least there is an entry for that). I had to convert the intensities to that of a fixed slit before refinements with GSAS-II, but the weights of points at higher 2theta are sometimes off. Hope that Profex does better with that. How does Profex deal with minor artifacts of a K-beta filter such as the absorption edge and residual beta peak or could it refine data without K-beta filter (i.e. calculating the K-beta and possibly even K-gamma peaks)? I found phase quantification of 1-2% LaB6 in Si with GSAS-II to be very tricky as most LaB6 peaks are close to the residual beta peaks or the absorption edge of the much more intense Si peaks (measured on a 975-cut Si single crystal with a PANalytical Empyrean with Mo-X-ray-source with a 75μm Zr-filter)
@NaeemAkbar-r8y 9 күн бұрын
Can we used fullprof refinement files for electron mapping density through Profex software?
@profextutorials2325 7 күн бұрын
No. You can refine your dataset with FullProf using Profex, but the ED maps only work with BGMN. You will have to use the FullProf tool to create the maps.
@NaeemAkbar-r8y 9 күн бұрын
is it possible to design a electron mapping density of composite system through Profex software?
@profextutorials2325 7 күн бұрын
You can create separate electron density maps for each refined crystalline phase. If this is of any use for your composite material I don't know.
@giulioaltoe 20 күн бұрын
Thanks for the lesson. I had a problem trying to refine a file. I was able to do it successfully with two files of the same type, but with the third one, an error appeared: 1st pattern file named C12h-1500grausC.xy: assuming free XY[E] format (E) Unable to open file afaparm.dat Refinement exited with errors. Could you provide some ideas on how to correct this?
@profextutorials2325 20 күн бұрын
That is a very unusual error. The file afaparm.dat is part of the Profex installation and it should not suddenly disappear or get corrupted. My best guess is that a malware protection is kicking in and deleting or quarantining Profex files. Maybe you can temporarily disable the anti-virus software and reinstall Profex.
@f1chtl 21 күн бұрын
Great work! I have now added my detector geometry (was hidden in .brml) file, and now i finally find my peaks! but the issue is: the background level is at 0 for the calculated curve. How would i add a background (without measuring it)? i can select a number of constants for the background, but it seems they dont have any effect...
@profextutorials2325 20 күн бұрын
I can't identify the issue based on your description. Please go to the support page on the Profex website and follow the instructions for support requests. The procedure ensures that I get enough information to understand the problem.
@f1chtl 19 күн бұрын
@@profextutorials2325 thank you! i have managed to fix it by manually editing the background coefficients in the refinement file. Somehow, they are always set to 0. By increasing it to 5 i get a very good result. Is there a way to set the default to 5?
@profextutorials2325 18 күн бұрын
In one of the device repositories (Locations -> Devices) there is a template file for your instrument configuration (*.tpl). You can open it in a text editor and change the value of RU to 5. Or if you delete the RU line, the value will be assigned dynamically during the refinement. After modifying the file, I recommend to save all 4 files for this configuration (*.sav, *.ger, *.geq, *.tpl) in the device repository outside of the Profex program folder. On Windows it is C:\users\<your name>\...), which is also listed in Locations -> Devices. Else you will lose the modified files with the next update.
@mohamedfadhali9917 Ай бұрын
thank you.. could you please specify what to select for instrumnet if data was taken by PROTO xrd system
@profextutorials2325 Ай бұрын
There is no such configuration bundled with Profex. You need to create a new one. Check out the video tutorial "instrument configurations" for more information.
@Ruslantuber 2 ай бұрын
Many thanks for the great tutorial! Why can Rwp be less than Rexp and GOF less than 1? for multiphase sample. Is it reasonable?
@profextutorials2325 2 ай бұрын
It means that you are over-refining your dataset. There must be correlating parameters. As long as chi^2 is just a little bit below 1, e.g. 0.97, I wouldn't worry, it seems to be an excellent refinement. But if it goes further below 1, you should reduce the number of refined parameters.
@Ruslantuber 2 ай бұрын
Hello! Many thanks for these instructions. Could you help me, which instrument configuration should I use for D6 Phaser with SSD 160-2 detector?
@profextutorials2325 2 ай бұрын
There is no D6 configuration in Profex yet. You need to create a new one. If you want me to help you with it, please go to the support page on the Profex website to find the support email address. Then send me one of your original Brml files to this address. I may be able to find the necessary hardware information in the file. Ideally, send me a scan of the NIST LaB6 standard or something equivalent.
@Ruslantuber 2 ай бұрын
Great video lesson!
@mohammeds.53 2 ай бұрын
It says it is unable to detect the phase; when I try to run a search, no results come up. I don't know why!!
@profextutorials2325 2 ай бұрын
Your chemical restrictions are probably so strict that no phase in the repositories fulfills them.
@mohamedoraby8044 3 ай бұрын
How to push the background up at specific parts of the curve to fit every thing for better X2?
@ainitasnimchemahadzir2204 3 ай бұрын
Hi, thank you for your sharing. Can you show examples of refinements for clay data? I' ve tried to get good fits for my data but somehow Profex could not quantify these minerals. Not sure what's the issue. Perhaps you could enlighten me. Thanks!!
@doremihungary8051 3 ай бұрын
Sir. Please correct me if I am wrong. Does I need to add zincate in my sample and run again the XRD?
@profextutorials2325 3 ай бұрын
Yes, you need to add a precise amount of an internal standard (e.g. Zincite) before running the measurement.
@doremihungary8051 3 ай бұрын
@@profextutorials2325 ok. So I need to mix 90 my raw material with 10 zincate. But know I have problem The databased not working. I cannot download the CIF when retrieved from databased
@mohamedoraby8044 4 ай бұрын
can we use this as input to make the rietveld refinement in Profex, and how?
@profextutorials2325 4 ай бұрын
No, Rietveld refinement needs a raw data set for input. Peak integrals are of no use for RR.
@danielw5204 4 ай бұрын
When importing structure files, would it be possible to define my own radiation wavelengths as only lab based radiation sources are available on the menu? my data was measured from synchrotron, so I would like the simulated xrd also adjusted based on the radiation source.
@profextutorials2325 4 ай бұрын
You can replace the following line in the control file: LAMBDA=CU with SYNCHROTRON=x.xxxxx Where x.xxxx is the wavelength in nm.
@tomseiduks4734 4 ай бұрын
Has anyone managed to get an output for the crystalline size of the finer fraction when using bimodal crystalline size?
@profextutorials2325 4 ай бұрын
I still haven't figured it out. If someone knows, I'd be interested, too.
@tomseiduks4734 4 ай бұрын
@@profextutorials2325 That's a shame. Maybe if there was a way to manually calculate the sizes based on the refined parameters, rather than through GrainSize function, but I'm not even nearly knowledgeable enough to search for that solution.
@gayathrichandran9338 4 ай бұрын
Informative video Sir. Sir could explain for external standard where we have to add the code.
@adrianogalvao6389 4 ай бұрын
Thanks a lot for your videos! It's very useful. At 12:00 you are teaching how to create a file as a text. But when I do the same with my patterns this does happen. Any file is created and any window with structure information is shown. How can I proceed? Can you help me? Thanks in advance.
@adrianogalvao6389 4 ай бұрын
Thanks for your videos. How can I create these projects? In this case, the project is already to download and use in Profex. My question is: How can I create a project using my patterns data and use it to get the absolute phases in my samples? Thanks a lot!
@profextutorials2325 4 ай бұрын
You start by creating a regular refinement project, as demonstrated in the beginner's videos or in the case studies. The standard phase is refined as a normal phase. Once you get a good fit, you can select "project -> set internal standard" to change to calculation of phase quantities to the internal standard method and run the refinement again. As a result, you get the absolute phase quantities.
@khaledamr5385 5 ай бұрын
Something that I need to clarify from you. When you aim to refine the structure I noticed that chi square value gets worse (above 1.5) even as density map looks better (let us say it changed from 1.2 to -1.2 to the range from 0.49 to -0.49). So what I want to say when I export the results of the grain size which result should I trust. The grain size values before structure refinement or after? Thank you.
@profextutorials2325 5 ай бұрын
One thing that comes to mind is that the calculation of Chi^2 depends on the number of refined parameters. If you release more parameters, Rexp gets a bit smaller, and hence chi^2 = (Rwp/Rexp)^2 increases. Whether or not this explains your observations I don't know. The crystallite size is derived from the peak width. So whatever fits your peak shape better should result in more accurate crystallite sizes. In a high-quality dataset, that would be the structure refinement. But in a low-quality dataset, a structure refinement might over-refine the data and result in bogus results. Without seeing your data I can't tell which of the two scenarios applies to you.
@HuggumsMcgehee 6 ай бұрын
Should you refine sample displacement when doing a Le Bail refinement?
@profextutorials2325 6 ай бұрын
Yes, it affects the peak positions in the same way it does in Rietveld refinement.
@sudarshanabasu2871 6 ай бұрын
I can't give any password in macbook terminal for profex which had been seen in this video and the reference structure is also not visible
@profextutorials2325 6 ай бұрын
It shouldn't be necessary anymore. The app is now code-signed with a certificate on OS X. You may still be asked to give it access to the documents folder. If you messed up your program settings, check out the FAQ to reset everything to default: www.profex-xrd.org/faq/#hfaq-post-1863
@shabaazabdullah7258 6 ай бұрын
I keep getting Grain Size error, please advise, I've tried variations of isotropic, anisotropic refinement of k2 and B1, any help would be great thanks.
@profextutorials2325 6 ай бұрын
Is B1 refined to 0.0? That means infinitely large crystallites, which is reported as GrainSize=ERROR. The physical meaning is "too large to cause any detectable peak broadening".
@riccardocolombo6204 6 ай бұрын
Hey! Thanks for the wonderful tutorials. I have some data acquired at the Synchrotron with very low S/N ratio. I can get good fits (I know I have 1 only phase), but I'm not sure about the Chi-square which is way below than 1 (Rwp around 6, Rexp 20). Rexp is very high, and searching online I found that probably Profex is not reading the third column of my files which contains the counting error. Indeed, I have .dat files with just 3 columns (2theta, counts/second, and error) and when I drag and drop them, Profex reads the third column as a separate scan. What can I do to make Profex recognize the error column, thus hopefully reducing the Rexp? Thanks in advance.
@profextutorials2325 6 ай бұрын
Indeed Profex doesn't know if the third column is the error or another scan. That's why it opens it as a scan. If your dat file uses a format that is directly supported by the BGMN kernel, you can disable the conversion to xy format by Profex, which discards the error information. Here is what you need to do: 1. Change the file extension of your dat file to xye 2. Go to "Edit -> Preferences -> BGMN -> Backend configuration" and make sure that the line "Do not convert scan files to XY format" contains the extension "xye". Profex may still show the error as a scan at first, but it will feed the file directly to BGMN, which will then use the error correctly. In order for the xye file to be accepted by BGMN, it needs to use space separators and the # comment sign.
@riccardocolombo6204 6 ай бұрын
@@profextutorials2325 thanks a lot for your kind answer. I tried and indeed Profex recognized the third column, however the Rexp dropped to 0.48, that seems very low also compared to other Rexp from the literature. At this point, even if the fit seems quite good the chi-square is very high. Do you think 0.48 is a possible value for Rexp or I made some mistakes importing/structuring the file?
@mujeeblatifi2715 6 ай бұрын
Hey Nicola, when I introduce Mg into calcite or Na into apatite, Profex gives me an error and the refinement does not take place
@profextutorials2325 6 ай бұрын
Make sure that there are no spaces in the code segment (e.g. after the comma or around the minus sign): E=(CA(p),MG(1-p)) If that doesn't solve the issue, please contact me through the support e-mail address given on the Profex website.
@woutervanr 6 ай бұрын
It now says "lession" instead of "lesson" in the titles of the videos. And adding some timestamps would be handy. 13:50 Search-match method
@profextutorials2325 6 ай бұрын
Thanks! I fixed the titles.
@rojalinpanda8763 6 ай бұрын
I am getting an alert that api-ms-win-crt-runtime-l1-1-0.dll is missing. what do I do now?
@salonilatiyan714 6 ай бұрын
Sir, firstly thankyou so much for such a wonderful explanation. One ques: for as my material is cuco2s4, during phase match, what should i select, as i m selecting mineral and then select elements from periodic table then it come error that no phase matches. Plz reply at earliest
@profextutorials2325 6 ай бұрын
Your phase is probably not yet in the default repository. In that case, search-match makes no sense. Since you already know what phase it is, you can instead search for it in the COD database (file > import structure files > query COD database). You need to make sure that the COD is installed and connected. There is a video explaining it on this channel.
@Cteklo7 6 ай бұрын
why do you use rms d8?
@profextutorials2325 6 ай бұрын
It's the instrument configuration the sample was measured on. It is important to select a configuration that exactly represents the instrument that was used to acquire the dataset.
@9468740703 7 ай бұрын
Dear Sir, Please create a playlist where the videos are arranged Episode Number wise in ascending order. Some of the Episodes are missing.
@profextutorials2325 7 ай бұрын
Is there something wrong with the existing playlist? kzbin.info/aero/PL08rIEwvHHOqb7FsgbIWDuKLXqDyLODPI It looks OK to me. Please let me know if videos are missing or shuffled for you.
@Roman-wg3hi 7 ай бұрын
Who else is here from PHYS 4700?
@khaledamr5385 7 ай бұрын
Can we have an example were we can calculate bond lengths?
@profextutorials2325 6 ай бұрын
While in theory it is possible to add the calculation of bond lengths to the STR files, it is extremely cumbersome. Profex version 5.3 will come with a dialog that lists bond lengths after the refinement.
@SimoneJosun 7 ай бұрын
Video is not clear
@ulisessalazarkuri7048 7 ай бұрын
Thanks for the lessons. They were very useful. When you upload the example lessons, Could you please upload the necessary files into the PROFEX webpage to follow you and better understand them? Thanks again
@profextutorials2325 7 ай бұрын
Thanks. The files are available here (section March 2024): www.profex-xrd.org/lecture-handouts/
@JoaoPedroVerasAmorim-nt7kr 7 ай бұрын
What to do when the search peaks tool does not show the 2theta angle in the peak list window?
@profextutorials2325 7 ай бұрын
If you right-click on the header of the peak list, you can select which parameters are shown in the list.
@JoaoPedroVerasAmorim-nt7kr 7 ай бұрын
@@profextutorials2325 And when all the angles appear only 0?
@profextutorials2325 7 ай бұрын
Please follow the instructions for support requests on the Profex website when asking for support.
@JoaoPedroVerasAmorim-nt7kr 7 ай бұрын
@@profextutorials2325 Thanks for the orientations
@profextutorials2325 7 ай бұрын
For the record, it's a bug in Profex that occurs with *.xy scan files. It will be fixed in version 5.2.9.
@oliykimyo 7 ай бұрын
Vielen Dank 👏👏👏. I'm new and learning many new things, thank you so much!
@SUNYINXU 7 ай бұрын
Thank you for your report. Here's an issue I encountered in daily use. I hope to get your answer. I imported a CIF file using Profex and generated a theoretical pattern. I compared this theoretical pattern with the theoretical pattern in the ICSD database and found that they are not consistent in terms of the relative intensity. I also compared the CIF file with the source file generated by Profex one by one and found that they are the same. I was using ICSD-23495, which is a layered rock salt material used in lithium batteries(NCM811).Can you explain this phenomenon?Thank you.
@profextutorials2325 7 ай бұрын
I am not sure why this happens, and I don't have access to the ISCD for verification. Just a guess: relative intensities are instrument-dependent. A fix divergence slit produces different intensities than a variable one. Profex also considers beam overflow when the beam spills over the sample surface at low angles, which also changes the intensities. Maybe that explains your observation.
@SUNYINXU 7 ай бұрын
@@profextutorials2325 Perhaps I didn't convey my message clearly. I mean the hkl plot calculated by Profex is inconsistent with the hkl plot in the ICSD database.
@profextutorials2325 7 ай бұрын
That does not add any information to your previous message. Please follow the instructions for support requests on the Profex website when asking for support.
@9468740703 7 ай бұрын
Pls. share the other four hidden videos. Thanks.
@hammao 8 ай бұрын
Nice !!!
@vicentebenavides2646 8 ай бұрын
Super great
@ThangPVan_ 8 ай бұрын
Thanks, it's useful
@ThangPVan_ 8 ай бұрын
Sir, in the 13th slide "modelling the peak profile": The software GSAS-II uses instrument configuration approach (because it needs instrument parameters file) and the software Fullprof uses empirical function approach, right?
@oliykimyo 8 ай бұрын
Vielen Dank!
@sonugeorgealex 8 ай бұрын
can you make the remaining videos available? it says it is hidden
@profextutorials2325 8 ай бұрын
They will come. I plan to release one every weekend for the coming weeks.
@hammao 8 ай бұрын
Thank You for all you do...
@ZZZZzzzcccc 8 ай бұрын
Hi Sir. Thank you for your tutorials. May I ask you a question? Where can I find the scale factor in Profex? I tried to find it and increase the absolute intensity of some peaks however cannot find it in the manual. Thank you! Looking forward to your reply!
@profextutorials2325 8 ай бұрын
The scale factor is the GEWICHT parameter. It is not the Rietveld scale factor, though, because it is already corrected for the unit cell density: GEWICHT is equivalent to S*(Z*M*V)
@oliykimyo 8 ай бұрын
Thank you so much!
@oliykimyo 8 ай бұрын
I have a problem with organic polymers like chitosan. It can not detect or just penetrate and as a result, I'm getting only diffraction patterns for the sample holder. Should I change a metal sample holder into a glass one? Or I need to change the radiation source.
@profextutorials2325 8 ай бұрын
It's hard to tell without having more information. Maybe your sample material is really amorphous?
@oliykimyo 8 ай бұрын
@@profextutorials2325 thank you for your reply. Yes it's amorphous but we have got a pattern corresponding to the amorphous materials from another diffractometer. I think you already mentioned that Cu radiation is mostly for inorganics while Mo should be used for organic powders. The problem is that we only have CuK source. And the instrument itself is the Chines production, not too reliable. Thank you again I will keep watching your tutorials and install the program Profex. Currently I use MDI Jade 6. There's very few tutorials on it. What interests me is to do the quantitative analysis
@oliykimyo 8 ай бұрын
Thank you so much! it was very helpful for me
@yasar6357 8 ай бұрын
Pls upload all lectures
@profextutorials2325 8 ай бұрын
Will come one by one the next 7 Sundays
@vicentebenavides2646 8 ай бұрын
Thanks
@yasar6357 8 ай бұрын
@@profextutorials2325 thanks
@fayezamer3561 9 ай бұрын
Hi, would you kindly upload the file online? the link to download QualX does not work for me.
@profextutorials2325 9 ай бұрын
Hi, the QualX website seems to be down. I can't provide a download link for legal reasons. It seems you'll have to wait for the website to be available again, sorry.