Yes. First we give the peak position as given in reference papers, then if we see some shoulders in the peaks, we have to add an extra peak corresponding to it. Then run the optimisation. In some cases, the position and fwhm of particular peak are kept fixed, but the spectra could not be fitted by fixing them, then also we add extra peak to fit the whole spectra. Thanks.
@@dazza9129 yes. It is good. I have uploaded some videos on this also. In the beginning of this video, I stated that why I am preferring xpspeak41 software for deconvolution.
@@vkmev Lastly, how do I know if I correctly deconvoluted my peaks(sorry for the beginner question). Sometimes I cannot fully trust reference papers to refer to the position and shape of my peaks(do not want to become biased).
@@dazza9129 this is not a beginner question. Experts also face this problem. A good literature survey will only assure you whether your deconvolution is good or not.
If you have saved .XPS file, open it. Then save the spectrum. If you did not save XPS file, then you have to again fit the data. Once you have saved the spectrum, open that .dat file, and delete the unwanted data points in the beginning. Then import this into origin. I think I have explained it step by step in this video. Thank you :)
@@vkmev yes, you already explained everything very well step by step. Thank you so much for your efforts. In my case, when I saved the file it's always automatically saved as origin file, when I open the file it's all empty. When I dragg and open origin file in either excel or txt then only I can see the data. Then only I can go further for plotting data. Just mentioned the details here, in case someone facing the same problem, it will be a tiny help to them. Thank you.
Does the minimum chi sqr value tell the best fitting of XPS? How we can compare the XPS deconvoluted data of two same material but the different ratio in their composition and different chi sqr value obtained during fitting?
@@soumyakannoth1 yes... Minimum Chi Sqr value tells the better fitting of xps/xas data. For your second question, in the case of XAS, I would subtract the background, used in fitting, and then will find out the area ratios of the featured peaks. The area is also provided in fitting. For particularly XPS, I am sorry, I am not expert in it yet.
Thanks a lot for your detailed explanation! I am wondering when we do the charge shift correction for XPS data? before peak fitting or after it? Thank you~
Hello, if I can have your helps. I tried to plot the txt document,but it showed error reading files, I tried it many times, but could not open. There is no space and any words.
I think you are talking about plotting the fitted .TXT file into origin. So, first you open the .TXT file in notepad. Then, insure that all the columns have data points from first row. Sometimes for some columns, there are no data points for beginning rows. If this is the case, you can delete those rows. Then it will work. Thanks
Hi friend thanks for the wonderful video.It helped me a lot. sorry, the question may be silly buy i have no sound knowledge in XPS peak fittings and all, I need one clarification, in the interpolation step how did you decide the step size is 0.2 is there any reason behind this or simply we can select.
I hope you have doubt at 16:35 You can choose arbitrarily any step size, but when you will use symbols and bigger size of them, then you can understand that symbols are overlapping too much, so no good use of the symbols. Therefore we can increase the step size and get the plot looking good, where the symbols are at some distance from each other. It should not be much also, as small peaks can be eliminated at interpolation with larger step size.
@@vkmev Thanks for your reply, I need one more clarification, as per my understanding if I want to differentiate the peaks only by Colors then I don't need interpolation step, is it correct?. Because you are doing interpolation to introduce the symbols on the respective peaks right?
As Chi square value show goodness of fit. Try to change the parameters like, position, fwhm, fix or unfix some peaks. I hope you will get good chi square value. You can compare the peak parameters with good published reports and try fitting.
@@Palak-ve9te I think you are fitting XAS data. in this case, normalized data is preferred, otherwise unnormalized pre and post edges create problems to decide the exact peak position. Athena is known as reliable peak fitting software for XAS. You can follow this tutorial for basic th-cam.com/video/k4Kt0xl88eA/w-d-xo.html Thanks for sharing your doubts. :)
This saved my life thank you so much :D
Thank you so much Cagla Berberoglu. :)
Very nice player
Thank you so much for your kind explanation. It really helped my research paper. Thank you!
Thanks a lot haewon lee
Thanks for giving great information 😍😍😍
My pleasure 😊
Sir, thank you so much. I am grateful to you.
Thank you so much Aey Jay. :)
Thanks for the tutorial. It helped a lot
How can you see those peaks? Just from the graph? And in some cases can you use a reference paper?
Yes. First we give the peak position as given in reference papers, then if we see some shoulders in the peaks, we have to add an extra peak corresponding to it. Then run the optimisation. In some cases, the position and fwhm of particular peak are kept fixed, but the spectra could not be fitted by fixing them, then also we add extra peak to fit the whole spectra.
Thanks.
@@vkmev Thank you very much. Also another question: Is deconvolution of peaks using origin software alone also a good way in deconvoluting?
@@dazza9129 yes. It is good. I have uploaded some videos on this also. In the beginning of this video, I stated that why I am preferring xpspeak41 software for deconvolution.
@@vkmev Lastly, how do I know if I correctly deconvoluted my peaks(sorry for the beginner question). Sometimes I cannot fully trust reference papers to refer to the position and shape of my peaks(do not want to become biased).
@@dazza9129 this is not a beginner question. Experts also face this problem. A good literature survey will only assure you whether your deconvolution is good or not.
Thank you for so useful video. What to do if can't save the XPS fitted data file in text? File saved in origin, but it's empty.
If you have saved .XPS file, open it. Then save the spectrum. If you did not save XPS file, then you have to again fit the data. Once you have saved the spectrum, open that .dat file, and delete the unwanted data points in the beginning. Then import this into origin. I think I have explained it step by step in this video.
Thank you :)
@@vkmev yes, you already explained everything very well step by step. Thank you so much for your efforts.
In my case, when I saved the file it's always automatically saved as origin file, when I open the file it's all empty. When I dragg and open origin file in either excel or txt then only I can see the data. Then only I can go further for plotting data.
Just mentioned the details here, in case someone facing the same problem, it will be a tiny help to them.
Thank you.
Iam not able to download this software.kindly help me
XPSPEAK 4.1? search on software websites. If you don't find there, then let me know through email.
@@vkmev Thanks for your reply. ..I got it..
Does the minimum chi sqr value tell the best fitting of XPS? How we can compare the XPS deconvoluted data of two same material but the different ratio in their composition and different chi sqr value obtained during fitting?
@@soumyakannoth1 yes... Minimum Chi Sqr value tells the better fitting of xps/xas data. For your second question, in the case of XAS, I would subtract the background, used in fitting, and then will find out the area ratios of the featured peaks. The area is also provided in fitting.
For particularly XPS, I am sorry, I am not expert in it yet.
It showing missing some files bro. Plz install on my system through anydesk
Thanks a lot for your detailed explanation! I am wondering when we do the charge shift correction for XPS data? before peak fitting or after it? Thank you~
Dear Bowen, I have used this software only for peak fitting. So please contact to XPS expert. Thanks :)
@@vkmev Thanks a lot for your reply~ I asked the others and someone told me manual subtraction or add may work well. I am going to try that.
@@bw8133 I also think so... All the best 👍
good job... thanks
Welcome
Hello, if I can have your helps. I tried to plot the txt document,but it showed error reading files, I tried it many times, but could not open. There is no space and any words.
I think you are talking about plotting the fitted .TXT file into origin. So, first you open the .TXT file in notepad. Then, insure that all the columns have data points from first row. Sometimes for some columns, there are no data points for beginning rows. If this is the case, you can delete those rows. Then it will work.
Thanks
@@vkmev Thanks, it works now!
Hi friend thanks for the wonderful video.It helped me a lot. sorry, the question may be silly buy i have no sound knowledge in XPS peak fittings and all, I need one clarification, in the interpolation step how did you decide the step size is 0.2 is there any reason behind this or simply we can select.
I hope you have doubt at 16:35
You can choose arbitrarily any step size, but when you will use symbols and bigger size of them, then you can understand that symbols are overlapping too much, so no good use of the symbols. Therefore we can increase the step size and get the plot looking good, where the symbols are at some distance from each other. It should not be much also, as small peaks can be eliminated at interpolation with larger step size.
@@vkmev Thanks for your reply, I need one more clarification, as per my understanding if I want to differentiate the peaks only by Colors then I don't need interpolation step, is it correct?. Because you are doing interpolation to introduce the symbols on the respective peaks right?
@@prakashpg4505 yes you are right.
@@vkmev Thank you friend 👍🏻
👍👌
I have been trying to fit. In your case chi square is very low. But I am getting visibly good fit but the chi square is 34.4.is it acceptable?
As Chi square value show goodness of fit. Try to change the parameters like, position, fwhm, fix or unfix some peaks. I hope you will get good chi square value.
You can compare the peak parameters with good published reports and try fitting.
@@vkmev Hey thank you. I am trying.
@@vkmev Hey, I got the value but. I wanted to ask. When the data was normalized i got the value in just one click. What is the reason for this?
@@Palak-ve9te I think you are fitting XAS data. in this case, normalized data is preferred, otherwise unnormalized pre and post edges create problems to decide the exact peak position. Athena is known as reliable peak fitting software for XAS. You can follow this tutorial for basic th-cam.com/video/k4Kt0xl88eA/w-d-xo.html
Thanks for sharing your doubts. :)
@@vkmev Thanks. how do we calculate area of whole peak to calculate elemental composition?
Good
good work sir......
Thank you sir 😎
Thanks
It showing missing some files bro. Plz install on my system through anydesk