The first part (determining the instrumental broadening) is exactly the same. Once you insert your collected diffraction pattern, the steps would be the same, but you would have to do each step for each phase. Does that make sense? (I never know how well I explain my thoughts.) Is there a particular step in the determination of crystallite size and microstrain that is giving you trouble with your multiphase material?
Thank you for the video. I am using Highscore plus 3.0.2, some of the options I do not have. Such as the "solver tolerance" in the "general fit properties", I don't have it, what should I do?
Unfortunately, I'm not sure how to change something like solver tolerance in that version. However, whatever default value is set will probably work just fine.
@@IAMMDiffractionFacility Thank you! I managed to get it done. But my Rwp is high, about ~20%. According to the difference, it is due to the noise of the original data. Any suggestions on obtaining XRD data? Increase step size? Lower the speed?
I'm glad to hear that you managed to get it done! Telling you how to improve your data quality can be difficult without seeing the data and knowing more about the samples. I can give you some general thoughts though. If you want less noise, lowering the speed works. If you have 8-12 data points above the full width half maximum (FWHM) of your peaks, then increasing your step size will make your experiment longer without likely getting any benefit (it won't decrease noise). It isn't appropriate for all situations, but spinning your sample can help.
I suppose that depends upon what instrument you are using. My main experience is with an Empyrean from Malvern Panalytical. On that, they have a reflection/transmission/spinner sample stage that allows the sample to continuously spin while collecting data. This allows the X-ray beam to hit more crystallites. If you are using a different instrument, I don't know if you have that capability though. If you don't, it shouldn't be a problem.
I thank you for all these videos, I would like on the other hand to learn about the method of data acquisition on residual stresses, and main layers, as well as their corresponding software, namely Stress and Amass.
Hi Thank you for all your videos. They have really helped me. I have one request that if possible can you provide me with the standard Si pattern so I can do micro strain analysis.
Unfortunately, you need to collect the pattern yourself because the instrumental broadening is different for each diffractometer and each set of prefix modules and optics. Anything pattern that I would collect on my instruments would only work for analyzing data collected from my instruments.
@@IAMMDiffractionFacility Ok..Can you explain to me how I can do that. As far as I understand. Please correct me if I am wrong. So do I have to buy the standard Si powder from NIST and perform the XRD analysis on my XRD instrument and that I can use as my reference pattern.
Yes, you buy the standard from NIST, and then you perform a scan on the standard from NIST using the same exact instrument configuration (prefix modules, optics, etc.) that you will use or have used to collect data from your sample. And then if you want to use different optics in the future for your samples, you will need to collect another diffraction pattern on your NIST standard that uses the new optics. Let me know if you have any further questions.
Thank you for the compliment! I use version 4.7. If your version is different and providing difficulty in following along with my video, let me know so I can try to help you figure out how to make it work in your version.
@@IAMMDiffractionFacility Thank you! I am using version 3.0, where I press the "size-strain analysis" button, then a problem report saying "No valid atom positions available" appears. I found the pattern had no atom information. Can I import other CIF(s) into highscore database and add it into the pattern list? I've got another question, what is the point of dealing with silicon before refining Al2O3?
@@IAMMDiffractionFacility By watching this video for another few times, I think now I've got it. I understand it as some kind of calibration treatment. However, where to get the standard pattern with the same optics? I found one can buy SRM(Standard Reference Materials) from NIST. Does that mean I have first buy SRM and then analyze it with my equipment to get the instrumental broadening? Thanks again ❤️
Hi Fer, I do not have any tutorials about database management, but I may be able to offer guidance. Am I correct in assuming that the COD database is the only one you have access to? And what version of HighScore do you have?From what I've read, the COD database just works with versions 4.x.
@@IAMMDiffractionFacility Thanks for your answer Michael, you're right i only have access to COD and my version is 3.0.5. Any help will be welcome. And following with this kind of thing, is any way I can include the CIF files in the database?
Upon further reading, it seems that there is a version compatible with version 3.x. The page with all the different versions is www.crystallography.net/cod/new.html. January 2020 states that it is for version 4.x, but there are previous entries that either don't specify a version (July 2016) or specify version 3.x (October 2014). One of these should work for you. I don't remember the steps for adding the database (I need to be in front of the software to write down each step), but I can look into it when I am back at the lab next week. You may be able to find out how to add it by going to the HighScore help file and typing in something like "database" though. I'm assuming that the CIF files will come with the database file.
Thank you so much for making these great videos! I have a question. Could you please tell us about your Strain-size R and P settings and the changes you have made to those profiles? Here we work a lot with alloys and rolling and residue strain and so on and it is important for us to accurately measure these parameters. Thank you in advance!
Do you have those parameter files (Strain-size R and P) in your HighScore Plus? If so, I haven't modified Panalyticals refinement strategy. If you don't have them, I can tell you what the steps are.
Thank you for these helpful Videos in your channel I want to do deconvolution (or unfolding) the pure sample profile from the Si standard XRD pattern and my target sample's XRD pattern. I want to present all the three patterns. This may be done via the so called Fundamental Parameter approach. Can I do this using X'Pert HighScore Plus software? I appreciate if you help me in this case
I'm glad the videos help! I'm not sure I fully understand your situation though. Can you explain your sample/data collection in more detail? I'm also not sure what the difference is between your pure sample profile and your target sample's XRD pattern.
@@IAMMDiffractionFacility I have XRD pattern of SnTe and of Si standard. Both are found from the same x-ray diffractometer. My intention is to use the Si standard as a reference for correction of the instrumental effect, so as to find the pure (free from instrumental effect) XRD pattern of SnTe.
Okay, I understand now. Unfortunately, I don't know if HighScore Plus does that. If it does, I have no idea what the steps would be. None of my users have every requested that. Typically, we just refine the Si standard so that corrections for instrumental broadening can be applied in the calculation of things like crystallite size and microstrain. I wish I could be of more help! My suggestion is to reach out to Panalytical.
What version of highscore is it.? Some parameters that you show do not appear in the one I have, and I can´t find where to look at the version you have.
Hi! I have another question. The Crystallite Size obtained by the method in the above video (without calibration of instrumental broadening) is quite different from the value calculated with Scherrer equation. Could you please give the reason? Is the breadth of the peaks used here the same as the full width at half max (FWHM)?
Hello! Have you watched my other videos on crystallite size and microstrain? I think the one on Scherrer equation in particular would answer your questions. It is ruclips.net/video/diPju39ZQY8/видео.html.
hello , i firstly want to thank you for all your videos describing the high score software, y question is that i can t find convert pattern to phase, can u help me in that, and also another question is that i may have an amorphous or semi crystalline material ( it s a composite materail from a resin an marble powder).thank u
Regarding your first question about converting a pattern to a phase...just to confirm, did you perform a search/match, find a candidate pattern that matched your peaks, accept that candidate pattern (either drag the pattern from the candidate list up into your accepted pattern list or just right click on the candidate and choose accept candidate), and then right click on the accepted candidate to choose "Convert Pattern to Phase"? Regarding your second question...I'm not sure what your second question is. Are you wanting to perform crystallite size/microstrain analysis on your amorphous or semi-crystalline material? Do you have any crystalline peaks? You need at least one crystalline peak in order to estimate crystallite size using Scherrer's equation (which isn't ideal as it requires some approximations and doesn't account for microstrain, but it is better than nothing).
@@IAMMDiffractionFacility thank you for your quick response, i accepted the candidate but i didn t find how to convert pattern to phase....there is no button; for my second question: i m working on composite material i m not sure if i have a crystalline material, semi crystalline or amorphous, i hope i could send you a screenshot or even th files to help me with. from some research es and from your videos i could say that i have two types of composite materials one is amorphous and the other is crystalline or semi-crystalline (i have one peak).thank you in advance for your time
Okay, go ahead and send me a picture of the diffraction pattern for the composite material so that I can look at it. My email address is mkoehler@utk.edu. With regard to your problem converting a pattern to phase, please right-click on the accepted pattern and take a screenshot of the options that appear. Send that screenshot to me.
Sorry for the delayed response, I wanted to test my answer before giving it. You should be able to incorporate the size-strain analysis into your phase quantification. You still need to test the reference sample, but once you have identified all of the patterns present in your sample and have chosen to convert those patterns to phases, set Size Strain Analysis for each phase instead of just one phase. You can then perform your phase quantifications steps. When it comes to refining the profile variables during phase quantification, it looks like you can refine U and W, but don't refine V. When I tried refining all three just a few minutes ago, the size strain analysis results no longer appeared.
@@IAMMDiffractionFacility Thank you very much for your answer. I would like to consult you a few more things. 1. What is the version of your Highscore plus? 2. After following your suggestion for each phase, I tried to compare the average crystallite size value that the program yielded with one calculated by Scherrer equation and the FWHM of some peaks. Why are they so different? Is this because microstrain and crystallite size were being refined at the same time?
1. I believe it is version 4.7. 2. I typically only use the Scherrer equation if I don't have any other options as there are assumptions made with this formula. The shape factor is typically taken to be 0.9 but should actually change depending upon the shape of your crystallites. Another issue is that the Scherrer equation does not factor in microstrain, it assumes that the broadening of your peaks is due only to crystallite size. If I remember correctly (it's been awhile), I've tried the Scherrer equation on multiple peaks of the same phase and gotten quite different results. It is also very important to remember that you still need to test a reference sample in order to determine the FWHM caused by the instrument. You then use this value to correct the FWHM that you put in the Scherrer equation. This correction has the biggest effect when your peaks are very narrow, but the effect decreases if your peaks are wide. Finally, I feel like Scherrer is most useful if you only have one or two peaks present in your pattern (as this can make refinement difficult and gives too few datapoints in a Williamson-Hall plot) or if you are just wanting to qualitatively compare one sample to another and don't think that there can be varying amounts of microstrain in the samples. If you do use the Scherrer equation, it is important to understand its limitations, and I suggest that you read more about them. While reading information and thoughts from some relatively-unknown person from the internet (such as me!) can potentially be helpful, I certainly hope that people take such information and then verify it by researching further online. Doing so may also provide further information that the relatively-unknown internet person may have forgotten to share (we certainly aren't perfect :) ). Let me know if you have any other questions!
@@IAMMDiffractionFacility I am very grateful for your answer, as it is very enlightening to discarde Scherrer equation because of its limitations. I doubted to use this equation because although it is widely reported by papers to calculate crystallite size, it involves making many assumptions that seem quite approximate. I will follow his advice to investigate further, but I do think it is more appropriate to calculate these parameters by refining all the peaks of the diffractogram, like you explained in the video. Thanks so much for your videos, these are excelent. P.d.: Thanks for specifing the highscore plus version because of it's some different to mine
Thank you for the kind words about the videos! And if you have trouble with your version of HighScore Plus, let me know. I have access to an older version as well and MAY be able to give you some advice.
If you need structural data for refinements, I don't know of anything that is free other than COD. I use the ICDD PDF4+ database. If you have access to the ICSD database, that is also an excellent source of .cif files that will allow you to perform refinements.
Hi Michael, I am followed exactly in my highscore plus version 3.0, i could able to identify the Crystallite size but for micro-strain value for all my samples i am getting 0 % which is weird! Do you have any reason for that? Also, Can you tell me your refinement steps, so that I can incorporate the same as in my case i have to manually input the steps.
Hmmm, I'm not sure why that is. It only gives you 0, not something like 0.074? These values can be pretty small sometimes. Here are the refinement steps that Panalytical made for Size/Strain Analysis R... Scale factor, flat background, more background, specimen displacement, lattice parameters, Caglioti W, Caglioti U, Caglioti V, peak shape parameter 1, and peak shape parameter 2. Don't switch any of them off after refinement.
Especially for multiple phases, I recommend determining it using Rietveld refinements. Set each phase to crystallite size and microstrain (assuming both are affecting your sample), and refine according to the instructions.
We using highscore plus 4.5 version,in pattern list there is no convert pattern into phase option so we can't get crystallite size can u help me with that
Hello, thank you very much for your videos , my question is when i convert pattern to phase I don't see any number there just the name of pfase (zno) , I don't find the structure information in this phase and i don't find it in all the other patterns , and when I do size strain analysis in small window it say that no valid atomic position available what can I do in this case please ???
Unfortunately, it sounds like your database might not have atomic positions included in the phases if none of the patterns seem to have it. If that is the case, you will have to either find a .cif file online that does have atomic information (you can try the crystallography open database, www.crystallography.net/cod/) or you can try to find the atomic information online and then add it to the converted pattern. I will try to make a video in the next couple of days that shows you how to do both options.
Thank you very much for these helpful tutorials. Keep up the good work.
You're very welcome! And thank you for the kind comment. It really means a lot and encourages me to continue.
Thank you for the video.
It would be great if you cover "How to find the micro-strain and crystallite size in a multi phase material" topic
The first part (determining the instrumental broadening) is exactly the same. Once you insert your collected diffraction pattern, the steps would be the same, but you would have to do each step for each phase. Does that make sense? (I never know how well I explain my thoughts.) Is there a particular step in the determination of crystallite size and microstrain that is giving you trouble with your multiphase material?
@@IAMMDiffractionFacility thankyou. No, actually I did not try yet
you do a great job and you'r videos hellp me a lot thank's
I'm happy they help, and thank you for the kind words!
Thank you for the video. I am using Highscore plus 3.0.2, some of the options I do not have. Such as the "solver tolerance" in the "general fit properties", I don't have it, what should I do?
Unfortunately, I'm not sure how to change something like solver tolerance in that version. However, whatever default value is set will probably work just fine.
@@IAMMDiffractionFacility Thank you! I managed to get it done. But my Rwp is high, about ~20%. According to the difference, it is due to the noise of the original data. Any suggestions on obtaining XRD data? Increase step size? Lower the speed?
I'm glad to hear that you managed to get it done! Telling you how to improve your data quality can be difficult without seeing the data and knowing more about the samples. I can give you some general thoughts though. If you want less noise, lowering the speed works. If you have 8-12 data points above the full width half maximum (FWHM) of your peaks, then increasing your step size will make your experiment longer without likely getting any benefit (it won't decrease noise). It isn't appropriate for all situations, but spinning your sample can help.
@@IAMMDiffractionFacility Thanks! What is spinning sample? How I can do it?
I suppose that depends upon what instrument you are using. My main experience is with an Empyrean from Malvern Panalytical. On that, they have a reflection/transmission/spinner sample stage that allows the sample to continuously spin while collecting data. This allows the X-ray beam to hit more crystallites. If you are using a different instrument, I don't know if you have that capability though. If you don't, it shouldn't be a problem.
Thank you for your videos☺
You are so welcome!
I thank you for all these videos, I would like on the other hand to learn about the method of data acquisition on residual stresses, and main layers, as well as their corresponding software, namely Stress and Amass.
Hi Thank you for all your videos. They have really helped me. I have one request that if possible can you provide me with the standard Si pattern so I can do micro strain analysis.
Unfortunately, you need to collect the pattern yourself because the instrumental broadening is different for each diffractometer and each set of prefix modules and optics. Anything pattern that I would collect on my instruments would only work for analyzing data collected from my instruments.
@@IAMMDiffractionFacility Ok..Can you explain to me how I can do that. As far as I understand. Please correct me if I am wrong. So do I have to buy the standard Si powder from NIST and perform the XRD analysis on my XRD instrument and that I can use as my reference pattern.
Yes, you buy the standard from NIST, and then you perform a scan on the standard from NIST using the same exact instrument configuration (prefix modules, optics, etc.) that you will use or have used to collect data from your sample. And then if you want to use different optics in the future for your samples, you will need to collect another diffraction pattern on your NIST standard that uses the new optics.
Let me know if you have any further questions.
@@IAMMDiffractionFacility Now I understand..Thank you so much.
Hi, thank you for amazing video.
Could you please tell us what is the version of your High score ?
Thank you for the compliment! I use version 4.7. If your version is different and providing difficulty in following along with my video, let me know so I can try to help you figure out how to make it work in your version.
@@IAMMDiffractionFacility Thank you!
I am using version 3.0, where I press the "size-strain analysis" button, then a problem report saying "No valid atom positions available" appears.
I found the pattern had no atom information. Can I import other CIF(s) into highscore database and add it into the pattern list?
I've got another question, what is the point of dealing with silicon before refining Al2O3?
@@IAMMDiffractionFacility I think I find the answer in one of your great videos~ Thanks ~
ruclips.net/video/yGQDXCXEaqY/видео.html
I'm glad the other video helped! Do you also understand why I dealt with silicon before refining Al2O3?
@@IAMMDiffractionFacility By watching this video for another few times, I think now I've got it. I understand it as some kind of calibration treatment.
However, where to get the standard pattern with the same optics?
I found one can buy SRM(Standard Reference Materials) from NIST.
Does that mean I have first buy SRM and then analyze it with my equipment to get the instrumental broadening?
Thanks again ❤️
Hi Michael, do you have any tutorial about database managing and how we can get the COD database? Thanks for all your help
Hi Fer, I do not have any tutorials about database management, but I may be able to offer guidance. Am I correct in assuming that the COD database is the only one you have access to? And what version of HighScore do you have?From what I've read, the COD database just works with versions 4.x.
@@IAMMDiffractionFacility Thanks for your answer Michael, you're right i only have access to COD and my version is 3.0.5. Any help will be welcome. And following with this kind of thing, is any way I can include the CIF files in the database?
Upon further reading, it seems that there is a version compatible with version 3.x. The page with all the different versions is www.crystallography.net/cod/new.html. January 2020 states that it is for version 4.x, but there are previous entries that either don't specify a version (July 2016) or specify version 3.x (October 2014). One of these should work for you. I don't remember the steps for adding the database (I need to be in front of the software to write down each step), but I can look into it when I am back at the lab next week. You may be able to find out how to add it by going to the HighScore help file and typing in something like "database" though.
I'm assuming that the CIF files will come with the database file.
Thank you so much for making these great videos! I have a question. Could you please tell us about your Strain-size R and P settings and the changes you have made to those profiles? Here we work a lot with alloys and rolling and residue strain and so on and it is important for us to accurately measure these parameters. Thank you in advance!
Do you have those parameter files (Strain-size R and P) in your HighScore Plus? If so, I haven't modified Panalyticals refinement strategy. If you don't have them, I can tell you what the steps are.
@@IAMMDiffractionFacility I would be glad if you could share those parameters. Thanks in advance.
Thank you for these helpful Videos in your channel
I want to do deconvolution (or unfolding) the pure sample profile from the Si standard XRD pattern and my target sample's XRD pattern. I want to present all the three patterns. This may be done via the so called Fundamental Parameter approach. Can I do this using X'Pert HighScore Plus software?
I appreciate if you help me in this case
I'm glad the videos help! I'm not sure I fully understand your situation though. Can you explain your sample/data collection in more detail? I'm also not sure what the difference is between your pure sample profile and your target sample's XRD pattern.
@@IAMMDiffractionFacility I have XRD pattern of SnTe and of Si standard. Both are found from the same x-ray diffractometer. My intention is to use the Si standard as a reference for correction of the instrumental effect, so as to find the pure (free from instrumental effect) XRD pattern of SnTe.
Okay, I understand now. Unfortunately, I don't know if HighScore Plus does that. If it does, I have no idea what the steps would be. None of my users have every requested that. Typically, we just refine the Si standard so that corrections for instrumental broadening can be applied in the calculation of things like crystallite size and microstrain. I wish I could be of more help! My suggestion is to reach out to Panalytical.
Thank You
What version of highscore is it.? Some parameters that you show do not appear in the one I have, and I can´t find where to look at the version you have.
Same problem I am using version 3.0.0 many options not there.
Hi!
I have another question.
The Crystallite Size obtained by the method in the above video (without calibration of instrumental broadening) is quite different from the value calculated with Scherrer equation.
Could you please give the reason? Is the breadth of the peaks used here the same as the full width at half max (FWHM)?
Hello! Have you watched my other videos on crystallite size and microstrain? I think the one on Scherrer equation in particular would answer your questions. It is ruclips.net/video/diPju39ZQY8/видео.html.
@@IAMMDiffractionFacility Yes, I've watched it, and "liked" it too~ Thanks for these great videos~
hello , i firstly want to thank you for all your videos describing the high score software, y question is that i can t find convert pattern to phase, can u help me in that, and also another question is that i may have an amorphous or semi crystalline material ( it s a composite materail from a resin an marble powder).thank u
Regarding your first question about converting a pattern to a phase...just to confirm, did you perform a search/match, find a candidate pattern that matched your peaks, accept that candidate pattern (either drag the pattern from the candidate list up into your accepted pattern list or just right click on the candidate and choose accept candidate), and then right click on the accepted candidate to choose "Convert Pattern to Phase"?
Regarding your second question...I'm not sure what your second question is. Are you wanting to perform crystallite size/microstrain analysis on your amorphous or semi-crystalline material? Do you have any crystalline peaks? You need at least one crystalline peak in order to estimate crystallite size using Scherrer's equation (which isn't ideal as it requires some approximations and doesn't account for microstrain, but it is better than nothing).
@@IAMMDiffractionFacility thank you for your quick response, i accepted the candidate but i didn t find how to convert pattern to phase....there is no button;
for my second question: i m working on composite material i m not sure if i have a crystalline material, semi crystalline or amorphous, i hope i could send you a screenshot or even th files to help me with. from some research es and from your videos i could say that i have two types of composite materials one is amorphous and the other is crystalline or semi-crystalline (i have one peak).thank you in advance for your time
Okay, go ahead and send me a picture of the diffraction pattern for the composite material so that I can look at it. My email address is mkoehler@utk.edu. With regard to your problem converting a pattern to phase, please right-click on the accepted pattern and take a screenshot of the options that appear. Send that screenshot to me.
Hello. Please could you tell me how is crystal size calculation of a multiphase sample after his respective Phase quantification?
Sorry for the delayed response, I wanted to test my answer before giving it. You should be able to incorporate the size-strain analysis into your phase quantification. You still need to test the reference sample, but once you have identified all of the patterns present in your sample and have chosen to convert those patterns to phases, set Size Strain Analysis for each phase instead of just one phase. You can then perform your phase quantifications steps. When it comes to refining the profile variables during phase quantification, it looks like you can refine U and W, but don't refine V. When I tried refining all three just a few minutes ago, the size strain analysis results no longer appeared.
@@IAMMDiffractionFacility Thank you very much for your answer. I would like to consult you a few more things.
1. What is the version of your Highscore plus?
2. After following your suggestion for each phase, I tried to compare the average crystallite size value that the program yielded with one calculated by Scherrer equation and the FWHM of some peaks. Why are they so different? Is this because microstrain and crystallite size were being refined at the same time?
1. I believe it is version 4.7.
2. I typically only use the Scherrer equation if I don't have any other options as there are assumptions made with this formula. The shape factor is typically taken to be 0.9 but should actually change depending upon the shape of your crystallites. Another issue is that the Scherrer equation does not factor in microstrain, it assumes that the broadening of your peaks is due only to crystallite size. If I remember correctly (it's been awhile), I've tried the Scherrer equation on multiple peaks of the same phase and gotten quite different results.
It is also very important to remember that you still need to test a reference sample in order to determine the FWHM caused by the instrument. You then use this value to correct the FWHM that you put in the Scherrer equation. This correction has the biggest effect when your peaks are very narrow, but the effect decreases if your peaks are wide.
Finally, I feel like Scherrer is most useful if you only have one or two peaks present in your pattern (as this can make refinement difficult and gives too few datapoints in a Williamson-Hall plot) or if you are just wanting to qualitatively compare one sample to another and don't think that there can be varying amounts of microstrain in the samples. If you do use the Scherrer equation, it is important to understand its limitations, and I suggest that you read more about them.
While reading information and thoughts from some relatively-unknown person from the internet (such as me!) can potentially be helpful, I certainly hope that people take such information and then verify it by researching further online. Doing so may also provide further information that the relatively-unknown internet person may have forgotten to share (we certainly aren't perfect :) ).
Let me know if you have any other questions!
@@IAMMDiffractionFacility I am very grateful for your answer, as it is very enlightening to discarde Scherrer equation because of its limitations. I doubted to use this equation because although it is widely reported by papers to calculate crystallite size, it involves making many assumptions that seem quite approximate. I will follow his advice to investigate further, but I do think it is more appropriate to calculate these parameters by refining all the peaks of the diffractogram, like you explained in the video. Thanks so much for your videos, these are excelent.
P.d.: Thanks for specifing the highscore plus version because of it's some different to mine
Thank you for the kind words about the videos! And if you have trouble with your version of HighScore Plus, let me know. I have access to an older version as well and MAY be able to give you some advice.
Like COD for database is there anything for refinement structural data because its not coming
If you need structural data for refinements, I don't know of anything that is free other than COD. I use the ICDD PDF4+ database. If you have access to the ICSD database, that is also an excellent source of .cif files that will allow you to perform refinements.
if the pattern has no structure parameters how we can add it , thanks in advance
Hi Michael,
I am followed exactly in my highscore plus version 3.0, i could able to identify the Crystallite size but for micro-strain value for all my samples i am getting 0 % which is weird! Do you have any reason for that?
Also, Can you tell me your refinement steps, so that I can incorporate the same as in my case i have to manually input the steps.
Hmmm, I'm not sure why that is. It only gives you 0, not something like 0.074? These values can be pretty small sometimes.
Here are the refinement steps that Panalytical made for Size/Strain Analysis R...
Scale factor, flat background, more background, specimen displacement, lattice parameters, Caglioti W, Caglioti U, Caglioti V, peak shape parameter 1, and peak shape parameter 2. Don't switch any of them off after refinement.
For multiple phases, how do you determine the crystallite size?
Especially for multiple phases, I recommend determining it using Rietveld refinements. Set each phase to crystallite size and microstrain (assuming both are affecting your sample), and refine according to the instructions.
We using highscore plus 4.5 version,in pattern list there is no convert pattern into phase option so we can't get crystallite size can u help me with that
You are positive that you have HighScore Plus, not just regular HighScore?
Hello, thank you very much for your videos , my question is when i convert pattern to phase I don't see any number there just the name of pfase (zno) , I don't find the structure information in this phase and i don't find it in all the other patterns , and when I do size strain analysis in small window it say that no valid atomic position available what can I do in this case please ???
Unfortunately, it sounds like your database might not have atomic positions included in the phases if none of the patterns seem to have it. If that is the case, you will have to either find a .cif file online that does have atomic information (you can try the crystallography open database, www.crystallography.net/cod/) or you can try to find the atomic information online and then add it to the converted pattern. I will try to make a video in the next couple of days that shows you how to do both options.
Thank you for your answer , I'm going to try this proposition and I'll wait for the video
I finally have the video up. Please see ruclips.net/video/yGQDXCXEaqY/видео.html
Thank you very much
thank you
Your video is not clear...pls zoom it to some extent and record.
I'm sorry to hear it is not clear for you! I appreciate the feedback though. I will look into zooming it somewhat for future recordings.