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Thanks so much for your positive words! You are most welcome and I am very happy to hear this is proving helpful to you and your colleagues :)

Thanks so much! And I hope they will prove useful to you :)

Hi thank you for watching my video and commenting! It is possible to use a simple file as input, but requires a couple of steps: 1. Download the program from my website 2. Open the example .dat file in Excel 3. Copy your temperature, field and moment data and paste it over the existing temperature, field and moment data in the .dat file 4. Save the .dat file If this it too hard, or if you get an error, please feel free to email me with your data file and I will be happy to take a look :)

Thanks, I hope it will prove helpful to you! :)

Glad you liked it!

Hi, thank you for watching my video and for commenting! I'm sorry to hear your file did not process correctly, I suspect it may have a slightly different format. But this should be easily fixed so please email me your file and I will be happy to help :) My email address is: conrad@sciresa.com.

Hi, thanks for your comment. Just to clarify, are you referring to the unit cell angles? If so, I just did a test and found that these angles do in fact export in bracket notation. However, they are not labelled correctly. Specifically, I tested this with kyanite, and got the results shown below. The d, e and f parameters are actually the alpha, beta and gamma angles. And g is the cell volume. When I get a chance I will fix this. But if you need this in the meantime, then as a workaround I would suggest renaming these outputs. Please let me know if this helps, and thank you for pointing this out. Al2 Si O5 a (Å) 7.15(8) Al2 Si O5 b (Å) 7.82(8) Al2 Si O5 c (Å) 5.679(22) Al2 Si O5 d (Å) 88.59(14) Al2 Si O5 e (Å) 99.28(15) Al2 Si O5 f (Å) 106.59(24) Al2 Si O5 g (Å) 300.2(6)

Thank you. Do you know if there is a way to automate refinement? I have dozens of powder diffraction data that I need to refine. The refinement parameters are the same every time with the same 2theta and two phases. I wish there was a way I could point to a directory with my powder diffraction data, import two phases, and refine with my parameters

@@HighImTri you're welcome! As for automating refinement, does the Sequential Refinement feature suit your case? If you are not familiar, there is a tutorial named "Sequential Refinement of Small Angle Scattering Data" that demonstrates this. Also, I have now updated the code such that the bracket export generates the outputs shown below. I have sent this to Brian and Bob, so I anticipate this will become available in a forthcoming update of GSAS-II. Al2 Si O5 a (Å) 7.18(8) Al2 Si O5 b (Å) 7.86(7) Al2 Si O5 c (Å) 5.746(26) Al2 Si O5 alpha (°) 88.28(11) Al2 Si O5 beta (°) 99.76(16) Al2 Si O5 gamma (°) 106.94(23) Al2 Si O5 Volume (ų) 305.5(6)

@@conradgillardscientific yesss thank you! Sequential refinement worked like a charm. I cannot believe I missed that in the tutorials. Wish I knew about it before processing 120 scans individually lol

@@HighImTri you're welcome, I'm happy it helped! And I'm glad you can avoid processing your next 120 files manually! Also, I heard back from Brian, who said he was happy to include my code update. So it should be available in the next GSAS-II version, I would guess in the next couple of days. So thanks again for pointing this out, and once it comes through please let me know whether it works correctly for you.

Hi, thank you for watching my video and for commenting! The data in these graphs is from GCD experiments, so if you are doing standard cycling experiments this program should be able to plot them. If you need to analyse and plot CV data, please see my "Cyclic Voltammetry Analyser" video (the link is: th-cam.com/video/P4zvd_9UABM/w-d-xo.htmlsi=53dmx2MDe0T0TzQb ).

Hi Anshul thank you for watching my video and commenting! At this stage the program is only designed for powder samples. But if you would like to email me your file via conrad@sciresa.com, then I would be happy to take a look :)

Thank you for watching my video and for leaving your comment :) However, I tried to translate your question with Google, but I couldn't understand properly. If you need a simpler way to make the Origin plots, perhaps the feature shown in the below video would help. And if not, please email me at conrad@sciresa.com and I will try to help you :) th-cam.com/video/W4VtNnj16u0/w-d-xo.htmlsi=-xsSCoWOnakG5vX0

Hi Anshul thank you for watching my video! Yes this program is free, please download it from my website :) sciresa.com/shop/magnetometry/magnetometry-analyser/

You're most welcome! I hope it proves helpful :)

Hi, thank you for watching my video! For CV, my Cyclic Voltammetry Analyser actually can already read Autolab files. For charge-discharge I do not yet have an Autolab version, but I think it would be simple to develop. Would you be happy to send me your .ocw extended cycling files? If so I will be happy to look into this :) (my email is conrad@sciresa.com)

Thank you for watching my video, and I'm glad this program proved helpful for you! To answer your question, the program requires the user to enter a molar mass, otherwise it will give a divide by zero error. However, it is still possible to plot M-H in any units, such as emu. The steps to do this are as follows: Set "Convert moment data to alternative units" to True. Set "Alternative units text" to "emu". Set "Alternative units conversion factor" to 1. Please would you let me know whether this helps?

That's strange, please email me your data file (my address is conrad@sciresa.com) and I will look into it :)

Hi, thank you for watching my video! I do not currently have a differential voltage program, but developing one is on my to-do list. When it is finished I will let you know by replying to this comment. Also please feel free to view my other programs on my channel and site, in case these are helpful to you :)

@@conradgillardscientific thank you. I look forward to it eagerly. I'll definitely check out your other videos.

Thank you for watching and for your comment! It is definitely not a stupid question, you are correct that the discrete derivative can be calculated in the ways you describe (known as forward, backward and midpoint difference operators). However my program does not use any of these methods. This is because doing so will produce a very noisy plot. The root of cause of this noise is that we do not directly manipulate the voltage in our battery experiments. Instead we apply current, and the voltage varies according to the characteristics of the cell. Consequently, my program instead uses Savitzky-Golay differentiation, with an 11 point window, and 100 sample points. This means that the program first samples the capacity data at 100 evenly distributed voltage values. Then for each sampled point, it fits a polynomial to the point in question, and the 5 sampled points on either side. Then it analytically calculates the derivative of the polynomial at the point to be analysed. The reason I used 100 sample points and an 11 point window is because through trial and error I found these values gave a good balance of detail and smoothness. However these can be changed in the case of particularly noisy data, or if extra detail is needed. Well this turned into a long reply but I hope it answered your question! One last thing to mention is that if you would like to see the exact equation that I implemented, it is shown on the following site: www.statistics4u.info/fundstat_eng/cc_savgol_coeff.html

@@conradgillardscientific - Thanks, that did answer the question. I'm just doing something similar in Excel with VBA, and actually we do OK with a basic crude integration with adjustment the voltage "V2-V1" window to clean up the spikes. I suspect we are oversampling the data quite a lot with our chosen timesteps though. I was thinking about doing a S-G smoothing on the data also, but being a somewhat poor mathematician i'm not really sure how to write a reliable resampling routine to make the data equally spaced in voltage prior to the smoothing 🙂 As an interesting aside, at least one of our battery cycler suppliers is doing the same thing as me in their software to calculate dQ/dV (but with what looks like a fixed V2-V1 window). Which is a little disappointing.

@@15bit62 That's great you managed to get satisfactory results using a "V2 - V1" method. I initially tried a similar approach, but found the results were too approximate, so went with the more rigorous SG approach. And I know how you feel about the built-in dQ/dV calculation - I have tried cycler software with a similarly disappointing feature. This was one of the reasons I decided to write this program. As for writing your own SG routine, if it helps you are welcome to download this program from my website and repurpose the code to perform your required function. It is also written in VBA so hopefully it should not be too hard to adapt. The link is: tinyurl.com/2tnrp6rn Also I presume that you would like to develop your program yourself, and I think it would be a great way to build programming skills. However, I just wanted to mention that as part of my business I am now offering program development services. So if you would like help with this or a future program, please feel free to contact me and it would be my pleasure to work with you :)

@@conradgillardscientific That's very generous thanks. I'll have a look through that and see if i can get an idea of how you do the various steps. I'm doing something rather more comprehensive than what you have here and with a different objective, so it will need a little translating.

@@15bit62 You're most welcome, I hope it helps! And please let me know how it goes :)

Thank you for the comment! And I am glad it was useful for you :)

Hi Ricardo, thank you for watching! :) You are correct, the issue is that this feature requires Origin version 2021 or later. This is because earlier Origin versions did not have the capability to be controlled by Python (the language GSAS-II is written in). So the solution is to install a newer version of Origin.

@@conradgillardscientific Hello, Conrad. That's it, i checked GSAS-II tutorials, and it states that this don't work with versions before 2021. Thanks so much!

@@ricardotadeu9116 glad to hear we worked out the solution! And I hope this feature proves useful for you :)

Hi Shanmugapriya, thank you for watching! :) This feature is only available in version 5023 and later. So to use it you need to click Help > Check For Updates and upgrade to the latest version.

@@conradgillardscientific thank you sir.

Hi NIck, thank you for watching my video! And I'm sorry to hear this feature didn't work for you. I just tried it with version 5295 on my Windows PC, and it worked for me. Based on your description, my guess is that your model may have been developed using an earlier version of GSAS-II. Therefore, please would you do Calculate > Refine, try the export again, and let me know if this gets it working?

@@conradgillardscientific Hi, Thanks for your quick response. I tried those steps and it did not work. Below is the message shown in the terminal if it helps. File "/Users/nick/g2full/GSASII/exports/G2export_Bracket.py", line 186, in Exporter rWP = self.OverallParms['Covariance']['Rvals']['Rwp'] KeyError: 'Rvals'

​@@nickflorent83 thanks for trying those steps, and sorry to hear that it didn't solve the issue. It is a strange terminal message, as it is saying there is no wR (data residual) for the refinement. I presume your refinement does converge and produce a wR? If so, it sounds like this may be a bug specific to Mac. In which case I am unable to test it, as I only have a Windows PC. Consequently, I would suggest following the steps shown in the below link, to report this to the main GSAS-II developers. I know that they both use Macs, so they should be able to test it and figure out the cause. subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/WikiStart#Bugs

@@conradgillardscientific It was converging. I played change what parameters are refining and it now works. It may have been because I had turned off some of the parameters. Thank you for your help.

​@@nickflorent83 you're welcome and glad to hear you got it working! If the error is reproducible, I would still suggest notifying the main developers, so they can fix the bug. Then you and others will not encounter the error again. Also thanks for commenting, it's good to know people are using this feature :)

Thank you for watching! :) This feature is only available in version 5023 and later. So to make it appear, you need to click Help > Check For Updates and upgrade to the latest version.

@@conradgillardscientific I did the update, but I still don't have the option to export to origin

@@rafaeldavila1042 that's strange, it works for me. Maybe try restarting and following the instructions in the video again? And are you using a Windows PC?

Thanks for watching, and of course happy to share! Please send me an email at conrad.gillard@gmail.com so that I have your email address, then I will send it to you :)

Thanks for your comment, and glad to hear you like this feature! :) When I wrote this code, I wondered the same thing, so I asked the Origin team and they gave the following reply: "External Python support is the same between Origin and OriginPro, despite the name of the package (originpro)." So this feature should work with the normal Origin, according to them. Have you tried it, and did you have any issues?

@@conradgillardscientific yes, I have tried it with issues however. I get the following error: "An unhandled exception occured. Press "abort" to terminate the program, "Retry" to exit the program normally and "Ignore" to try to continue." May it be that the exe for origin and originpro is named different and this causes errors?

​@@majskolv that's a pity that it didn't work. Your idea about the exe names being different sounds plausible to me. In which case it would be easy to fix the code. The only problem is that I don't have Origin (non Pro version) so it is tricky for me to debug this. So I will contact Origin and see if they can advise me of the correct name. Also, was there was any message in the cmd window when this error occurred? If so, please would you email a screenshot to me? As this may help identify the issue.

@@conradgillardscientific there was no message in the cmd window. I will be happy to help you with assistance on the issue. Once I am home, I will be out for a few hours then I will post the path to the origin file that I have on my computer. And in addition to this, I would be happy to assist in any way that I can, since I would be helped myself from this feature working.

​@@majskolv that sounds great, I will look out for your message. Also, if you are happy to send me your GSAS-II project, I will test the export with OriginPro and make sure there is not something specific about that project which causes it to fail.

Yes happy to share! Let's discuss by email :)

Hi Jack, of course happy to share it! Just drop me an email at conrad.gillard@gmail.com and I will send it to you :)

Hi, can I get the code too please I would be very happy.

I mostly learned from the GSAS-II tutorials, so I recommend checking them out :) subversion.xray.aps.anl.gov/pyGSAS/trunk/help/Tutorials.html

Hi Hector thanks so much for your comment! And of course, I have sent you this program in an email :)

@@conradgillardscientificthank you so much, i appreciate it 👌😁