How to calculate crystallinity index from XRD data using origin

[@MuhammadHaris-mz4kh]

Sir why we write (a.u) in graphs e.g Intensity (a.u), is this mean approximate or please if you could clear it. Thanks!

[@SAYPhysics]

au means arbitrary units, i.e. not to scale. This unit is adopted when we don't care for the y-axis values, or when our plot is as y-offset plot, or when we plot multiple plots without caring for their intensities. Thanks

[@MuhammadHaris-mz4kh]

Got it sir.

[@alsrod8898]

Your videos are very good. I like your didactics. The videos are very detailed. Great job! Thanks for sharing.

[@SAYPhysics]

Thanks for the appreciation dear.

[@henriquesolowej1962]

Your channel is perfect! I always recommend it.

[@SAYPhysics]

Thanks for the appreciation and recommendation dear ☺️

[@yousafkhan1434]

Very helpful video for calculating crystilinity index

[@SAYPhysics]

Glad you liked it

[@sathishkumar1351]

Thank you clear explanation 👍

[@SAYPhysics]

Glad it was helpful!

[@sagarrana_94]

Thanks a lot for such an informative video.

[@SAYPhysics]

Thanks for the appreciation dear

[@xinliran6329]

Thanks for the helpful tutorial. It is helping a lot😊

[@SAYPhysics]

Thanks for the appreciation dear

[@arsalanadil14912]

This video is perfect!

[@SAYPhysics]

Thanks

[@zanibkhan2317]

outstanding explanation

[@SAYPhysics]

Thanks for the appreciation dear

[@PhysicsRadiate]

Thank you so much for your help, appreciated

[@SAYPhysics]

You're welcome dear...

[@3dartstudent973]

Ur viduo and explanation is treasure to me, thank u aton, it was so clear and helpful, if i may ask, can we smooth XRD data and use the new smooth data in the crystallinity index calculation or should only use the data directly from XRD device? Thanks again

[@SAYPhysics]

Better it to be the raw data as it will have more info. Although you'll have to subtract instrumental factors, noise if any etc. I have recorded tutorials on all of them which are in the playlist. Thanks for the appreciation dear

[@3dartstudent973]

@@SAYPhysics thank u, if i may ask also, i bought nanoparticles and the labled said its 99 %purity, then after calculating crystallinity index it was 92%, can this occur? As these numbers not match

[@SAYPhysics]

Are they colloidal or powder NPs?

[@3dartstudent973]

@@SAYPhysics, nanoparticles

[@SAYPhysics]

Dear, NPs are always in colloidal or powder form. Which one are yours? Thanks

[@The_expanding_Universe]

well done

[@SAYPhysics]

Thanks dear 😊

[@AbdurRahman-tr9xg]

MashahAllah sir

[@SAYPhysics]

Thanks dear...

[@asadabbas9917]

Sir I really have doubt about the accuracy of the current method due to the following reasons: 1. The crystalline peak regions manually marked may not represent the exact crystalline areas. So better to use peak fitting. 2. Sum of crystalline areas could be equal to the total area of the plot leading to almost 100% crystallinity for a semi-crystalline material. Similar results were observed by me during the similar calculations done by me. 3. Why not to initially subtract the amorphous area from the plot as the considered crystalline area specially in amorphous sample seems inaccurate. Could you please provide a reference for the current adopted method? I would appreciate your valuable comments. Thanks in advance

[@SAYPhysics]

Thank you for your detailed feedback. You raise valid points about the accuracy of the manual marking of crystalline regions and the importance of peak fitting to avoid overestimating crystallinity. Subtracting the amorphous area first is indeed a more accurate approach. However, this is the usual way of calculation. While it's better to consider your suggestions and provide a reference for the method used in. Thanks again!

[@dahcari6548]

Hi Sir, I read ref I've seen almost they use Segal method. By the way, I would like to ask about Segal method calculate crystallinity index (CrI) from XRD data. 1. Do you have ref/book about how to calculate CrI from XRD data using Segal method (I mean tutorial). 2. Could you explain about how to calculate CrI from XRD data using Segal method. I've read about this method but I couldn't understand how to calculate? 3. Could you compare Segal method and this method you use in this video ? 4. When was we use this method and Segal method? 5. Which is best method to calculate CrI (I mean this method and Segal). 6. Is it method could use for almost materials (because I've seen this method use for inorganic materials, seldom use for polymer- example cellulose material) I hope I would receive yours answer soon. Thanks so much.

[@williaraqueiroz2737]

Thanks🎉

[@SAYPhysics]

Welcome 🙂

[@praveenkumarpanda1709]

sir thyank you sir for this and i knew how to find crystalinity but sir my next question is how to represent it as you have shown in the paper for resefernce . in that it has been as a deconvulation type of peak. so can i say that i will crystallinity as ur method and in paper i have to also attach the deconvulation pattern. pls kindly reply sir

[@SAYPhysics]

Thanks for the appreciation dear. It's up to you how you manage to design your figure with certain information. In case you'd like to show your plot in deconvoluted form, I have a video tutorial on that too. Thanks

[@MahmudulHasan-qg7my]

Thank you Sir for your nice presentation. I want to know the crystallinity index range for the amorphous and the crystal materials. Thank you

[@SAYPhysics]

Thanks for the appreciation dear. There's no specific range, as it totally depends on the material and its properties. Thanks

[@MahmudulHasan-qg7my]

@@SAYPhysics Sir can you provide a specific paper reference for the equation? Thank you for your nice work.

[@sameninna9958]

Thank you so much, hop you can do vedios for minitab software 😊

[@SAYPhysics]

You're welcome. I'll go with OriginLab as I don't have a registered version of Minitab. I hope the options will not be that different, as OriginLab is a globally used software. Thanks

[@VeronicaMartinez-mf1vt]

In an amorphous material, how to know how far to consider the area of the peak that is formed since it is not very well defined. thank you for the video.

[@SAYPhysics]

Thanks for the appreciation dear. After subtracting baseline and excluding noise, you will have to consider it as a whole. Thanks

[@3dartstudent973]

To be honest, this viduo helped me so much in my work, if i may ask is their a "unit" to the area of crystallinity peak and area of amorphous hollows, or its without unit, i was wondering if i missed reading it, thank u so much

[@SAYPhysics]

Thanks for the appreciation dear 😊. Crystallinity index is a ratio of two areas, so is dimensionless.

[@3dartstudent973]

@@SAYPhysics، yes i meant the two area's if they have unit

[@3dartstudent973]

@@SAYPhysics i thought the area of crystallinity since its area may be its unit like cm2

[@SAYPhysics]

This is area under the curve, not the area that has m2 as its unit. Ratio of y-axis to x-axis. Thanks

[@SAYPhysics]

Already responded. Thanks

[@صديقأبوالقاسم-ح2ت]

Thank you I watched your video on how to calculate the crystal size also. My question is :when calculating crystal size I need substracted line or smooth the data or I more accurate use the data as it ?is

[@SAYPhysics]

Thanks for the appreciation dear. It's better to go on with the baseline subtracted data.

[@khadimhussain8129]

Nice and very informative video. Can you please make a video to find Crystallinity index of XRD Data having Amorphous plus crystalline structure. like in case of glass having some crystalline content in it. Thanks.

[@SAYPhysics]

Thanks for the appreciation dear 😊. The procedure is the same.

[@loveearth6023]

Great video sir, Can you please have a video on SEM, TGA, and FTIR? soon

[@SAYPhysics]

Thanks for the appreciation dear. Sure, these will be covered as well soon.

[@SAHACOMMUNICATIONS]

Sir, super. What is the use of finding crystalline index value.

[@SAYPhysics]

It gives you the idea how much crystalline a material is. Thanks

[@human_engineer101]

It is very helpful. Thank you very much for making this content. I have an amorphous material and I am confused about how to make a baseline for my sample. I would be grateful if you are willing to discuss it with me. Thank you.

[@SAYPhysics]

Thanks for the appreciation dear Vianti. For the baseline correction I have already shared a couple of videos. Please go through them and I hope your problem will be resolved. If not, you may ask me anytime. Thanks kzbin.info/www/bejne/ZoG4hXVmfs2fjdk kzbin.info/www/bejne/g4q8mpKGncl-mqM

[@eftrsd7817]

So when you choose the symmetric area around each peak for CI calculation, does it mean only the area within the highlight will be calculated? Then what is the rule for picking the correct symmetric area? FWHM? I am asking because I want to develop my own code for calculating CI which requires constructing a fitting function for each peak however the fitting function sometimes has a broad tail.

[@SAYPhysics]

Regarding your custom fitting function, if the peaks have broad tails, you may need to extend the range beyond the FWHM to account for the additional intensity in those regions. Some methods account for peak asymmetry by using skewed Gaussian or Lorentzian functions, which might help better fit peaks with tails. The key is to ensure that the area considered for each peak reflects the contribution to crystallinity while minimizing the noise or background influence. Let me know if you'd like further details on implementing this in code! Thanks

[@eftrsd7817]

@@SAYPhysics Thanks for your reply.. Would you please elaborate more?

[@SAYPhysics]

Thanks for your follow-up! When selecting the symmetric area for CI calculation, consider extending beyond the FWHM for peaks with broad tails to capture all relevant contributions. Using skewed Gaussian or Lorentzian functions can help fit asymmetric peaks better. Start with the FWHM, then gradually extend the range until the intensity stabilizes, minimizing background noise. In your code, calculate the FWHM, define the extended area based on the peak profile, and integrate the area for CI. Testing with known standards will help refine your approach. Let me know if you have any specific questions or need further assistance!

[@subhamjena4520]

Sir, tat means we have to adjust the area of the peaks by eye observation?

[@SAYPhysics]

Yes. Slight variation doesn't alter it as it focuses on the peak. Thanks

[@alexisjulianrojashuamani1582]

no sería recomendable ajustar la curva del difractograma para tener una curva más suave?

[@SAYPhysics]

Thank you for your comment! Adjusting the curve of the diffractogram to obtain a smoother curve is indeed an option that can be considered during the analysis of XRD data. Smoothing the curve can help in improving the visualization of the data and reducing any noise or fluctuations that might be present. However, it's important to exercise caution when applying smoothing techniques. The choice of smoothing parameters should be carefully determined to avoid distorting the underlying XRD peaks or introducing artifacts. Smoothing should be done in a way that preserves the integrity of the diffraction pattern and maintains the accuracy of subsequent calculations, such as the calculation of crystallinity index. Thanks

[@nikhilrathod1096]

How to calculate the amorphous and crystalline content of silica in the sample instead of total amorphous content?

[@SAYPhysics]

Procedure is the same. XRD pattern belongs to one sample and hence you are calculating for that sample. Thanks

[@nikhilrathod1096]

No I mean in case of samples with both crystalline and amorphous minerals. How to calculate the amorphous content of a particular element (e.g silica or alumina only)? Total amorphous content will give me summation of all amorphous content of different chemicals

[@SAYPhysics]

I don't think so that from a single composite pattern one can calculate for an individual ingredient. May be with some sort of deconvolution it can be done but I don't know how to do it. Thanks

[@nikhilrathod1096]

@@SAYPhysics ok thanks 👍

[@bayanhijjawi4900]

great video, but the crystallinity of a material depends both on the intensity of the peak and the location of the peak, but in this video u only demonstrate the intensity of the peak in the calculation of the crystallinity index, though if a material diffracts after 2 alpha = 20, then this will be considered as a low crystallinity. is this true?

[@SAYPhysics]

Thanks for the appreciation. Here, in calculating the CI, we not only consider the intensity but also the FWHM (as we use area under the curve). Location of a peak in the calculation of the CI have no effect as it's the ratio of the area of crystalline to crystalline plus amorphous peaks. Thanks

[@hussey_li]

Good work, can you make a video on analysis of DSC thermograms using Origin?

[@SAYPhysics]

Yes, it's in the scheduled tutorials. Thanks, Husnain

[@hussey_li]

@@SAYPhysics Good, waiting for it bro.

[@sameninna9958]

Good question

[@deborahglosser8690]

Thank you! If a crystalline internal standard is used in the QXRD analysis, I assume this mass % must be subtracted from the final result for CI? Much appreciate your videos.

[@SAYPhysics]

Thanks for the appreciation dear 😊. Your input is valuable. Noted with thanks.

[@ankuravasinha9326]

is there any article reference regarding the formula used. If any, please provide.

[@SAYPhysics]

Please check the video description for the references. Thanks

[@jiachengfan8313]

Thank you for this video! Does it matter if the scanning not covering 0-90 angles? Will this cause incorrectness?

[@SAYPhysics]

Thanks for the appreciation dear. Principally not but some peaks will be missed if full range isn't covered.

[@victoriavargas8892]

I have an amorphous material that presented two peaks. Should I calculate the crystallinity index similar to your last example (adding the area of the two peaks)? Thank you so much for your video.

[@SAYPhysics]

Yes, if you need to calculate crystallinity index, you may go for your sample. Thanks for the appreciation.

[@mehranalam1274]

Sir could u plz make a video on how to calculate volume fraction of different phases from XRD

[@SAYPhysics]

Good idea. Although, in this video I have done some area calculations but a separate video on the volume fraction calculation will be good. Thanks

[@mehranalam1274]

@@SAYPhysics yes sir , thanks 😊

[@safoorashabir819]

@@mehranalam1274 Did you calculate the volume fraction ?

[@mehranalam1274]

@@safoorashabir819 yes, from integrated intensity method, but still confusing results.

[@safoorashabir819]

@@mehranalam1274 But I guess if you go through a article "enhanced anticorrosion and antiwear properties of Ti6al4v alloy with laser texture and graphene coating" there it is given as area under the curve same as crystallinity

[@safoorashabir819]

sir, does volume fraction differ from crystallinity ? if so,can you please share a video on volume fraction?

[@SAYPhysics]

The crystallinity index measures the degree of long-range order in a crystalline material, while the volume fraction measures the proportion of the sample that is crystalline. I don't have any video on volume fraction. Thanks

[@sugimansugiman3373]

thank you

[@SAYPhysics]

Welcome dear

[@p.p1533]

Dear sir I'm a medical biotechnologist and have some xrd data to interprete.i cannot download and get access to origin software living in Iran. How can I get the software

[@SAYPhysics]

It's a paid software and usually a university provides its licensed version. Thanks

[@loveearth6023]

Can you tell me that how to calculate TGA, SEM, and FTIR? Please

[@SAYPhysics]

You'll have to first perform these characterizations for your samples and then you can analyse them in OriginLab. Thanks

[@salemulazzam1045]

Sir how can we refine such graph where noise is so high. Kindly guide about this. Thanks

[@SAYPhysics]

Here's the solutions kzbin.info/www/bejne/l6TbiJ14brKGn6c kzbin.info/www/bejne/a2Snnayqlq55btk Thanks

[@salemulazzam1045]

@@SAYPhysics thank you sir

[@Emmazz1412]

Hi, is the Crystallinity index & size calculated based on Sehgal method?

[@SAYPhysics]

It's a general method, not Segal's method. Thanks

[@albertogori2261]

Thank you for the explanation! I have a question: for my research I need to analyze a pattern where I have Si and Cu peaks. I am only interested in the crystallinity of the Si, how can I find that without including the Cu in my calculations? The Cu peaks do not change in my measurements.

[@SAYPhysics]

Thanks for the appreciation dear. If cu peaks aren't changing, you may subtract them as a background. Thanks

[@subhamjena7059]

Sir, I have a doubt, while calculating area of peaks do we have to fix the width of area?

[@SAYPhysics]

No. As we adjust the selection for area calculation, we need not to fix it. Thanks

[@sumitdubal7887]

hello sir. nice explanation. I have one question, as you have calculated the area of each peak then it will be required to add an area of all the peaks and then it will be subtracted from the total area of the Amorphous and crystalline peaks.

[@SAYPhysics]

Thanks for the appreciation dear. Yes, you're right. Please check the video description in which I have attached an Excel file for the calculations. Thanks

[@mehranalam1274]

sir , could you please provide any reference article on this method.

[@mehranalam1274]

If possible share link

[@SAYPhysics]

Please check the video description where I have mentioned some references. Thanks

[@SAYPhysics]

Check the video description please. Thanks

[@mehranalam1274]

@@SAYPhysics got it thanks 😊

[@nithyasgeorge5008]

Hello sir..What is the range of crystallinity index for crystalline / amorphous material..? I calculated crystallinity index as 30 , Is it amorphous

[@SAYPhysics]

There's no specific range or boundary, rather, it depends on the sample requirements. Like if we're synthesizing a single crystal, then even if few percent comes as amorphous, it's not a good sample then. Thanks

[@saeedahuma-ri2un]

How i can find the value of young modulus for ....usdm.model..for cuo..and sno2 ....

[@SAYPhysics]

This a tutorial for calculating the crystallinity index. For the Young Modulus, see the WH and Modified WH tutorials. Thanks

[@manojpheiroijam]

Is it okay to use asymmetric least squares smoothing in baseline mode instead of user defined?

[@SAYPhysics]

Though it depends on the nature of baseline. However, in many cases I have observed user-defined to be the best option. You do with both and then plot both to see your calculations. Thanks

[@cirahkwon]

Hi sir, I am having an amorphous sample with multiple peaks. To calculate the crystallinity index, do i have to adjust the baseline? Thank you!

[@SAYPhysics]

Yes. Baseline correction is required. Thanks

[@cirahkwon]

@@SAYPhysics But, how come in your video, for the amorphous glass, the baseline correction is not required? Can you explain more on what situation is the the baseline correction is required?

[@SAYPhysics]

In this playlist, you will find some videos on the baseline and machine corrections. I have done those separately. Thanks

[@asalem4562]

Dear Sir Thanks for your very helpful video, but I have a question. What is the reference of the equation that you used to calculate the crystallinity degree (index)?

[@SAYPhysics]

Thanks for the appreciation dear. These equations are easily available in literature. If you need a specific reference for example, let me know I'll provide you. Thanks

[@saeedahuma-ri2un]

Aoa sir I need help ... about usdm model ...of xrd ...by using scherrer and w_h plot...can u help me...

[@SAYPhysics]

Let me see what kind of help you need. Thanks

[@ankuravasinha9326]

@@SAYPhysics Sir, I do need a reference regarding the formula. Please help.

[@SAYPhysics]

Did you check the video description? Thanks

[@joellee8466]

The background is defined by the user. If you have a combination of amorphous + crystalline material. How do you define the background?

[@SAYPhysics]

By looking the plot, if it is inclined on one side, you may do background correction (or offset correction) for any type of spectrum. Thanks

[@sameninna9958]

Please I need to download the originlab for pc 32bite, Windows7

[@SAYPhysics]

It's free or student version isn't available. You need to install it through your organization or buy it personally. Thanks

[@sameninna9958]

@@SAYPhysics thank you

[@MahmudulHasan-qg7my]

Sir can you provide a specific paper reference for the equation? Thank you for your nice work.

[@SAYPhysics]

Please check the video description for the references. Thanks

[@MuhammadIsmail-oj3sj]

When will upload QM 2 videos

[@SAYPhysics]

Soon, we'll start with the new uploads IA, keep patience. Thanks

[@yhk6187]

why do people keep doing this with origin? that peak there you picked is already a combined result from both crystalline and amorphous. and also for the rest of area you integrated, it all is mixed-up reflection resultants from both crystalline and amorphous. e.g. a-SiO2 and c-SiO2. it is not degree of crystallinity. you can't calculate it like that. unless there is super well-grown crystalline and the peak you chose is exclusively from that crystalline while the rest of xrd pattern represents the amorphous phase of different materials. You just can't use this in real life application. well, perhaps only for students who practice how this work.

[@SAYPhysics]

Thank you for your comment. You're right; in real-world applications, determining crystallinity can be more complex due to mixed reflections from both crystalline and amorphous phases. However, this tutorial is designed as a simplified example for students to understand the basic concept. Real-world scenarios often involve more intricate analyses, considering factors like specific material properties and phase contributions. It's crucial for learners to grasp the fundamentals before delving into more advanced applications.