I already love this program. So easy to control. I was worried about analyzing my XRD experiment for an undergraduate team project. I wanted to get rid of my and my teammates burden from having no idea how to analyze the data. This one does the best job possible.
Thank you, this is really kind of you! We certainly try our best to make the software as user-friendly as possible. Please do not hesitate to contact me by e-mail (putz@crystalimpact.de) if you have any suggestions or questions when using Match!!
How can we convert the graph into a publishable figure along with legends for each phase e.g., 1 for calcite, 2 for portlandite, and so on (for manuscript)?
You can customize the pattern graphics (incl. its legend) on the "Graphics" tab of the "Options" dialog. For example, you can choose to display the names of the selected phases along with their color in the legend, and display assignment letters (peak assigned to phase A, B, C...) at the experimental peaks. Once the pattern graphics meets your requirements, you can export it e.g. to a SVG-file using the "File / Export / Pattern graphics" menu command. Please contact me by e-mail to putz@crystalimpact.de if you have further questions!
Thank you for the explanation, I have followed all the steps and I tried an example provided by the software, the same as you did, but after doing the Rietveld refinement, I found that the chi^2=19.9, what could be the problem??
The rather high R-factor and chi^2-value you obtained could be caused by selecting different referent database entries as "matching" than in the video: If you select entry no. 96-901-2601 for "Quartz, 96-900-8082 for "Corundum" and 96-900-9669 for "Calcite" (all entries from the default COD reference database), the results will be much better. The effect can e.g. be caused by the usage of different space group settings in the entries, some of which may not be supported appropriately by FullProf.
"FoM" means "Figure-of-Merit", a numerical value that serves as a criterion of the goodness of the agreement between the corresponding candidate entry (line in the candidate list at the bottom left) and the experimental diffraction pattern. More information can be found here: www.crystalimpact.de/match/help/idh_searchmatch_fom.htm
You can get an overview over the file types that can be imported by Match! here: www.crystalimpact.de/match/help/idh_import_diffraction-data_file-formats.htm
hi , i am trying whatever you did in this video on Match 3 version available to download in May 2019 But when I press FP to run fullprof, it pops up asking me to select "FullProf program directory" so where can I find that in the installed folder
The message you mentioned means that FullProf does not seem to be installed on your PC yet. Please understand that FullProf is a separate program that is developed by J. Rodriguez-Carvajal and co-workers, not by Crystal Impact. The program needs to be downloaded and installed separately, e.g. from www.crystalimpact.de/match/download.htm#download_fp or the original download page www.ill.eu/sites/fullprof/php/downloads.html
With my sample the FP didn't give a result, just shows something about the calculation not converging, do you know what it means or why does it happen?
This happens quite frequently during Rietveld refinement calculations. For example, it is possible that the least-squares refinement more or less oscillates between two or three different states (parameter value sets) when following the gradients. The problem can also occur if you are refining two (or more) parameters at the same time that have a rather similar effect on the diffraction pattern, like the profile parameters along with the Caglioti parameters U, V, W. In order to fix this, you should think about and change the selection of parameters to be refined and try again. In many cases it is advisable to reduce the number of parameters, i.e. fix some of them at their current values and only refine a certain subset (like the scale factor or unit cell parameters for an individual phase only). Once you have reached convergence, you can then step-by-step add more parameters and run the refinement again, until you are able to refine a reasonably large set of parameters at the same time and the model is still stable (i.e. the calculation converges).
@@camiladias8232 Please take your time and play around with the different parameters, especially on the "Expert" tab of the "Parameter Turn-on"-dialog. Here you have access to individual parameters for different phases separately, allowing you to move on step-by-step and really slowly. It has helped me quite a lot in the past not to refine too many parameters at the same time, especially if phases with rather low amounts (
@@camiladias8232 Sorry, I did not want to overwhelm you! Please take your time... Match! can assist you in working with FullProf, by internally creating the script required for the control of this software However, an important part in Rietveld refinement is the selection of the parameters to be refined (incl. their order), and this is something what Match! can't do for the user, unfortunately.
Please apologize, but I am not sure if I fully understand what you mean by "XRD chart with three treatment". Could you please describe it in some other words, please? Thank you very much in advance!
@@crystal_impact the clay mineral examination by XRD include three stage for each sample, at first exam in normal state, after that the same sample are saturated by ethylene glycol and examend , and same it treated by heating for 330 C and 550 C each sample examend 4 times and the result giving as 4 xrd chart per 1 sample.
@@tahermahmood1092 Thank you for your clarification! You can import and display more than a single diffraction pattern (www.crystalimpact.de/match/help/idh_diffpattern_basics.htm ; second paragraph). However, you can only analyze a single sample at a time, i.e. each Match! document only contains a single analysis. The remaining experimental diffraction patterns are displayed only for comparison purposes. If you have further questions, please contact me by e-mail to putz@crystalimpact.de .
I assume that you have already run a search-match calculation and are now presented a list of candidate phases in the table at the bottom left, sorted according to descending figure-of-merit (i.e. agreement to experimental data). You should then mark each candidate entry one after the other, starting at the top of the list. For each entry (line) that you assume to be reasonable with regard to the composition (or other a-priori knowledge about the sample's origin; for example, you can exclude all entries of "Hydrogen (H2)" in most cases.) , you should mark the candidate entry and visually check the agreement of its peaks with the experimental data in the pattern graphics, preferably along with using the zooming/tracking facilities. In some cases you can e.g. see that there are unidentified peaks in the experimental profile data which nevertheless agree with reference entry peaks. This may be a good hint that the marked candidate phase is present. Once you have decided that a marked candidate phase is present in your sample, press the space bar in order to select it as "matching" and transfer it to the Match list on the lower right-hand side.
The term "No matching entries" in the candidate list at the bottom left just means that all of the diffraction peaks seem to be covered by already selected phases (that are listed in the match list at the bottom right). In detail, it means that there are no more reference database entries with a figure-of-merit value larger than the minimum FoM value (which can be set on the "Search-Match" tab of the "Options" dialog). Maybe I should adjust the term "No matching entries" accordingly.
@@muhammaduuu Once you selected the matching phases (i.e. the match list on the lower right-hand side collects one or more entries), you can simply export the match list to a CSV-file that can be readily imported into Excel. To do, right-click in the match list, then select "Save list as..." from the context menu that opens. Select an appropriate file name and directory in the window that opens, and make sure that the "Type of file" at the bottom is set to "Text file (*.csv)". Finally, press "Save". You can also display or export a comprehensive overview over your results (the so-called "report") e.g. by pressing , or using the menu command "View / Report".
@@muhammaduuu Match! exports the contents of the match list, i.e. entry number, formula sum, name and amount. What would you like to export in addition? Please send me the file and details to putz@crystalimpact.de
Thank you for your interest in our software! Could you please explain in some more detail what you mean by "Skip Key command"? What exactly would you like to do?
In theory yes: chi^2=(R_wp / R_exp)^2 Hence, if R_exp > R_wp, chi^2 will be below 1. However, if your chi^2 is really below 1, you should definitely check if there could be some kind of problem in your refinement, e.g. parameters having physically unreasonable values (like isotropic displacement parameters below 0.0).
You can download a full-featured evaluation version of the software (that runs for two months) from www.crystalimpact.de/match/download.htm#download . If you like the software, please consider to purchase a license for it. More information about the various licensing and pricing options for Match! is available here: www.crystalimpact.de/match/sales.htm as well as in our online store: shop-crystalimpact.de/en/c/match
You can download a fully featured demo version of the "Match!" software free-of-charge from www.crystalimpact.de/match/download.htm . The demo version can be used for two months after it has first been installed. Please do not hesitate to contact us by e-mail to putz@crystalimpact.de in case of any questions!
I already love this program. So easy to control. I was worried about analyzing my XRD experiment for an undergraduate team project. I wanted to get rid of my and my teammates burden from having no idea how to analyze the data. This one does the best job possible.
Thank you, this is really kind of you! We certainly try our best to make the software as user-friendly as possible. Please do not hesitate to contact me by e-mail (putz@crystalimpact.de) if you have any suggestions or questions when using Match!!
Excellent software for beginners, user friendly and easily available software.
Great .thank you very much dr. I was looking and want to learn this software..it's a goot starting video.. thank you once again 🙂
Thank you, you're welcome! Please do not hesitate to contact us in case of any questions when using Match!!
Thank you its very good explanation for primary with Program...
It is very good explanation for the program and the program is really fantastic
please can you heple me to drawing structure of HAp?
How can we convert the graph into a publishable figure along with legends for each phase e.g., 1 for calcite, 2 for portlandite, and so on (for manuscript)?
You can customize the pattern graphics (incl. its legend) on the "Graphics" tab of the "Options" dialog. For example, you can choose to display the names of the selected phases along with their color in the legend, and display assignment letters (peak assigned to phase A, B, C...) at the experimental peaks. Once the pattern graphics meets your requirements, you can export it e.g. to a SVG-file using the "File / Export / Pattern graphics" menu command. Please contact me by e-mail to putz@crystalimpact.de if you have further questions!
Thank you for the explanation, I have followed all the steps and I tried an example provided by the software, the same as you did, but after doing the Rietveld refinement, I found that the chi^2=19.9, what could be the problem??
The rather high R-factor and chi^2-value you obtained could be caused by selecting different referent database entries as "matching" than in the video: If you select entry no. 96-901-2601 for "Quartz, 96-900-8082 for "Corundum" and 96-900-9669 for "Calcite" (all entries from the default COD reference database), the results will be much better. The effect can e.g. be caused by the usage of different space group settings in the entries, some of which may not be supported appropriately by FullProf.
Hi! What does FoM mean? in the chart in the bottom part; next to I scale fct, and I/Ic. Thank you
"FoM" means "Figure-of-Merit", a numerical value that serves as a criterion of the goodness of the agreement between the corresponding candidate entry (line in the candidate list at the bottom left) and the experimental diffraction pattern. More information can be found here: www.crystalimpact.de/match/help/idh_searchmatch_fom.htm
Thank you so much, you're great!
It's really usefull, thank you
Which type of file should be attached ?When I added a photo or word file, program warn unknown format warning.
You can get an overview over the file types that can be imported by Match! here: www.crystalimpact.de/match/help/idh_import_diffraction-data_file-formats.htm
hi , i am trying whatever you did in this video on Match 3 version available to download in May 2019
But when I press FP to run fullprof, it pops up asking me to select "FullProf program directory"
so where can I find that in the installed folder
The message you mentioned means that FullProf does not seem to be installed on your PC yet. Please understand that FullProf is a separate program that is developed by J. Rodriguez-Carvajal and co-workers, not by Crystal Impact. The program needs to be downloaded and installed separately, e.g. from www.crystalimpact.de/match/download.htm#download_fp or the original download page www.ill.eu/sites/fullprof/php/downloads.html
With my sample the FP didn't give a result, just shows something about the calculation not converging, do you know what it means or why does it happen?
This happens quite frequently during Rietveld refinement calculations. For example, it is possible that the least-squares refinement more or less oscillates between two or three different states (parameter value sets) when following the gradients. The problem can also occur if you are refining two (or more) parameters at the same time that have a rather similar effect on the diffraction pattern, like the profile parameters along with the Caglioti parameters U, V, W.
In order to fix this, you should think about and change the selection of parameters to be refined and try again. In many cases it is advisable to reduce the number of parameters, i.e. fix some of them at their current values and only refine a certain subset (like the scale factor or unit cell parameters for an individual phase only). Once you have reached convergence, you can then step-by-step add more parameters and run the refinement again, until you are able to refine a reasonably large set of parameters at the same time and the model is still stable (i.e. the calculation converges).
@@crystal_impact Thanks, I'll test it then!
@@camiladias8232 Please take your time and play around with the different parameters, especially on the "Expert" tab of the "Parameter Turn-on"-dialog. Here you have access to individual parameters for different phases separately, allowing you to move on step-by-step and really slowly. It has helped me quite a lot in the past not to refine too many parameters at the same time, especially if phases with rather low amounts (
@@crystal_impact I've been on match since yesterday, still learning about XRD, thanks for the tips!
@@camiladias8232 Sorry, I did not want to overwhelm you! Please take your time... Match! can assist you in working with FullProf, by internally creating the script required for the control of this software However, an important part in Rietveld refinement is the selection of the parameters to be refined (incl. their order), and this is something what Match! can't do for the user, unfortunately.
Thanks so much
Thank you How can interpretation clay mineral XRD chart with three treatment (Glycol and Heating)?
Please apologize, but I am not sure if I fully understand what you mean by "XRD chart with three treatment". Could you please describe it in some other words, please? Thank you very much in advance!
@@crystal_impact the clay mineral examination by XRD include three stage for each sample, at first exam in normal state, after that the same sample are saturated by ethylene glycol and examend , and same it treated by heating for 330 C and 550 C each sample examend 4 times and the result giving as 4 xrd chart per 1 sample.
@@tahermahmood1092 Thank you for your clarification! You can import and display more than a single diffraction pattern (www.crystalimpact.de/match/help/idh_diffpattern_basics.htm ; second paragraph). However, you can only analyze a single sample at a time, i.e. each Match! document only contains a single analysis. The remaining experimental diffraction patterns are displayed only for comparison purposes.
If you have further questions, please contact me by e-mail to putz@crystalimpact.de .
How we can know that this phase is matching to our data????????
I assume that you have already run a search-match calculation and are now presented a list of candidate phases in the table at the bottom left, sorted according to descending figure-of-merit (i.e. agreement to experimental data). You should then mark each candidate entry one after the other, starting at the top of the list. For each entry (line) that you assume to be reasonable with regard to the composition (or other a-priori knowledge about the sample's origin; for example, you can exclude all entries of "Hydrogen (H2)" in most cases.) , you should mark the candidate entry and visually check the agreement of its peaks with the experimental data in the pattern graphics, preferably along with using the zooming/tracking facilities. In some cases you can e.g. see that there are unidentified peaks in the experimental profile data which nevertheless agree with reference entry peaks. This may be a good hint that the marked candidate phase is present. Once you have decided that a marked candidate phase is present in your sample, press the space bar in order to select it as "matching" and transfer it to the Match list on the lower right-hand side.
Does it work for organic compounds too??
Hey I downloaded this software and followed your tutorial, but after selecting 3 enteries, it then shows “no matching enteries”
The term "No matching entries" in the candidate list at the bottom left just means that all of the diffraction peaks seem to be covered by already selected phases (that are listed in the match list at the bottom right). In detail, it means that there are no more reference database entries with a figure-of-merit value larger than the minimum FoM value (which can be set on the "Search-Match" tab of the "Options" dialog). Maybe I should adjust the term "No matching entries" accordingly.
@@crystal_impact thanks, pls after chosen the elements i want, how to save the result as excel file
@@muhammaduuu Once you selected the matching phases (i.e. the match list on the lower right-hand side collects one or more entries), you can simply export the match list to a CSV-file that can be readily imported into Excel. To do, right-click in the match list, then select "Save list as..." from the context menu that opens. Select an appropriate file name and directory in the window that opens, and make sure that the "Type of file" at the bottom is set to "Text file (*.csv)". Finally, press "Save".
You can also display or export a comprehensive overview over your results (the so-called "report") e.g. by pressing , or using the menu command "View / Report".
It saves but only shows the percentage and name of the elements. Pls send ur email i will send you
@@muhammaduuu Match! exports the contents of the match list, i.e. entry number, formula sum, name and amount. What would you like to export in addition? Please send me the file and details to putz@crystalimpact.de
Very good explication, i would like to know the Skip Key command in the keyboard on windows Please?
Thank you for your interest in our software! Could you please explain in some more detail what you mean by "Skip Key command"? What exactly would you like to do?
@@crystal_impact i want to know how do you skip a step, like you said in 4:50 that you press a skip key in keyboard!
I meant the "Escape"-key on the keyboard.
@@crystal_impact Oh Great thank you so much !!
Could chi^2 be below 1?
In theory yes: chi^2=(R_wp / R_exp)^2 Hence, if R_exp > R_wp, chi^2 will be below 1. However, if your chi^2 is really below 1, you should definitely check if there could be some kind of problem in your refinement, e.g. parameters having physically unreasonable values (like isotropic displacement parameters below 0.0).
if anyone have a link of the software plz paste it here
You can download a full-featured evaluation version of the software (that runs for two months) from www.crystalimpact.de/match/download.htm#download . If you like the software, please consider to purchase a license for it. More information about the various licensing and pricing options for Match! is available here: www.crystalimpact.de/match/sales.htm as well as in our online store: shop-crystalimpact.de/en/c/match
please, how can download this software? i wanna drawing the structure of pure HAp. please how can help me?
You can download a fully featured demo version of the "Match!" software free-of-charge from www.crystalimpact.de/match/download.htm . The demo version can be used for two months after it has first been installed. Please do not hesitate to contact us by e-mail to putz@crystalimpact.de in case of any questions!
how can I get this software?
You can download a full-featured demo version (that is valid for two months) free-of-charge from: www.crystalimpact.de/match/download.htm#download
If you like the software, you can purchase a license for it from: www.crystalimpact.de/match/sales.htm