- Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] How to identify Mn Mn Corner edge paths in Artemis
by fred.mosselmans＠diamond.ac.uk 07 Jan '14

07 Jan '14

Hi Sathish, There are no corner sharing paths in your feff calculation as the "perfect" birnessite model you are using only has edge sharing octahedra. I am not a phyllomanganate expert so can't help with a structure suggestion to try but using google I would think you could find a structure with corner sharing MnO6. Then you could take the corner sharing path from there and the edge sharing from your original structure. In Sam Webb's paper he has refined his model to give shell occupancy numbers as he has a non totally crystalline structure. This is effectively the path degeneracy from the Feff calculation but you cannot refine this number in artemis, you have to refine Nmncor or some other variable the name is irrelevant and then define the path occupancy of the corner as 1 and the S02 for this path as amp * Nmncor . Bruce's videos are pretty good in getting started in fitting from scratch, which is really not the easiest thing to do, so keep going. I assume you have watched some of them. http://www.diamond.ac.uk/Home/Events/Past_events/XAS-workshop-2011.html?mgn… HTH Cheers Fred -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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How to identify Mn Mn Corner edge paths in Artemis
by Sathish Mayanna 07 Jan '14

07 Jan '14

Dear all I am sorry for disturbing you all again, since I am self learning to fit multiple scattering for biogenic Mn oxides in Artemis, I am quite lost in understanding the basics of Mn Mn corner sharing path. All reports are included Mn-Mn Corner at ~ 3.4 A, which I cannot find in my Feff calcuation for Phyllomanganate layer (Na-Birnessite) model. Below are the crystallographic information of Na birnessite I used (*also available in the attachment*), Na is excluded. A = 5.174 B = 2.850 C = 7.336 and angles 90, 103.18 and 90 for alpha, beta, gamma respectively Parameters X Y Z Mn 0 0 0 O1 0.37600 0 0.1330 I have two questions 1) How to identify the Mn Mn corner paths from the Paths result. 2) Where can I find the Coordination Number for Mn Mn Corner, If i see in eg. Webb et al., 2005 ( http://www.intl-ammin.geoscienceworld.org/content/90/8-9/1342.short) the CN numbers for Mn-Mn Corner is 0.6(1.0) or 0.8(8), what does the number represent in the brackets? It will be looking forward for your help. Regards -- Sathish

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Re: [Ifeffit] Standard Mn(III) oxides for LCF fitting? problem in
by fred.mosselmans＠diamond.ac.uk 03 Jan '14

03 Jan '14

Dear Sathish, You are right to be dubious about your Mn2O3 spectra, it looks to have much too small a white line compared to literature data and thus probably suffers from Some sort of thickness effects. You can find some MnOxide spectra in Matt's data base http://cars9.uchicago.edu/cgi-bin/newville/Model-Search.cgi however the resolution may be different to wherever you collected your data, but the spectra should be better. Assuming all your data was collected at the same time the edge position of your sample suggests by inspection that it is mainly Mn(IV), In the recess of my mind i know people have published nicely correlated pictures of oxo-Mn compounds edge positions against oxidation states to get a nice linear plot. I am sure you can find this if you search for it in google scholar or the like. However there are several different isomorphs of MnO2 and they have different XANES/EXAFS , thus LCF will only work if you have spectra of all of them (or at least all the types in your sample) Thus unless you are sure that delta is the only type in your sample (by XRD?) , LCF is not likely to get you very far. Given the edge position ab initio fitting might work OK. Otherwise you need to track down absorption spectra of the other isomorphs and try again. For LCF to work well (or at all) you need to have a basis set of all the components in your sample not just one for each possible oxidation state. HTH Regards Fred -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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Standard Mn(III) oxides for LCF fitting? problem in fitting
by Sathish Mayanna 03 Jan '14

03 Jan '14

Dear all Wish you a very happy new year! I was trying to apply LCF for XANES or EXAFS for biogenic Mn oxides (layer type Mn oxides). Using the standards (Mn2O3, Aqueous Mn2+ and dMnO2) I cannot fit the LCF for my XANES or EXAFS data *(attachment)*. I am not really sure what are the problems with the standards (as I expect mainly Mn(III) or Mn(IV) in my samples). It would be really great, if anyone could provide me the Mn(III) oxide standard or have a look at the data and please let me know, if I have done any thing wrong. Best regards Sathish

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Athena deglitch problem
by Sathish Mayanna 03 Jan '14

03 Jan '14

Dear Matt After installing Demeter to other than C drive there is no problem with deglitching. For me its easier to rebin the data points and then deglitch the terrible glitch in my data. If I don't rebin I need hours to deglitch a single spectra since the data contains a big glitch. I believe the major problem is solved for now, thanks a lot for your help. Regards Sathish On Tue, Dec 17, 2013 at 7:00 PM, <ifeffit-request(a)millenia.cars.aps.anl.gov>wrote: > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Re: Athena deglitch problem (Sathish Mayanna) > 2. Re: Athena deglitch problem (Matt Newville) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 16 Dec 2013 19:42:25 +0100 > From: Sathish Mayanna <satty334(a)gmail.com> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: Re: [Ifeffit] Athena deglitch problem > Message-ID: > <CABVfawm9mL4XhhvBJoPX2= > ZZ-MNek5YCkRcTHUP6S1UL6+xcaQ(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > *Dear Matt* > > > > > > Now it seems working well except some minor things, I can remove the > > points > > > from the data, the random point selection by software works better for > > > rebinned data. I think the only problem I have now is I still cannot > move > > > the cursor after double click (I can only remove the points which the > > > software decides - at least now it choose the points where I double > > click). > > > When i move my mouse cursor on the plot, it shows the correct > > coordinates. > > > > I'm still a bit confused about whether this actually working for you. > > The data you sent has fairly large arrays (>2400 points), but all the > > data was well-ordered in energy... I think that should "just work", > > without needing re-binning. And it does for me, and I don't see how > > re-binning would affect this. > > > * If I don't rebin the data, Athena will not choose the point which I am > intend to remove (I think i have some minor issues here). If I rebin the > data from ~ 2400 to 350 points, Athena will work correctly.* > > > > > > > I think it's always been the case that you double-click near the point > > to be removed, and hope that Athena does select the one you intended. > > > > *This works perfect for rebinned data. * > > > > > > I have one clarifications, when u choose the option to deglitch the > data > > > (rebinned or non rebinned data), does the x(E) data plot looks like in > > the > > > attached file (line) or it looks like sets of blue round points same > > size as > > > cursor. > > > > For me, it looks very much like the image you attached. I do not see > > a series of dots. > > > > > I think, the issue is solved except that I cannot move the randomly > > chosen > > > point. > > > > Why can't you remove the point chosen? That seems like it's not > > working to me. Wasn't that the problem you were having? > > > > *I mentioned "MOVE" in my above sentence, (Just to be more specific, when I > double click on the plot to choose a point, sometimes Athena select its own > random points away from the point where I clicked, when I try to drag that > randomly chosen cursor to the point of my interest, it will not work), IS > THIS NORMAL? * > > *I will try to figure out all the possible ways for non-rebinned data, if > it does not work at least for now rebinned data works.* > > *Regards* > *Sathish* > > > > > > Again, it may be that I'm not understanding. Cheers, > > > > --Matt > > > > > > ------------------------------ > > > > Message: 2 > > Date: Mon, 16 Dec 2013 08:30:39 -0500 > > From: Bruce Ravel <bravel(a)bnl.gov> > > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > > Subject: Re: [Ifeffit] Handling time resolved data > > Message-ID: <52AF007F.4050600(a)bnl.gov> > > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > > > On 12/13/2013 09:00 AM, Ditty Dixon wrote: > > > Dear Bruce, > > > > > > Recenetly we did some time resolved measurements, QEXAFS mode. While > > > the old Athena arranged the file as we want i.e file 1, 2, 3 etc, the > > > new did it bit different 1, 11 12 and again 2, 21 etc. Screenshot > > > attached. Why is it doing diffrently for the two version? Can it be > > > fixed some how. > > > > You haven't explained exactly where these data come from, so I am > > assuming that each scan was written to its own file and these files were > > imported into Athena. > > > > In Athena, data are imported in "ascii-betical" order, that is, sorted > > in order of characters in the ASCII chart: > > > > http://en.wikipedia.org/wiki/ASCII#ASCII_printable_characters > > > > In that sense, Athena sorted your data as expected. As Chris pointed > > out, if you want things like > > > > nr_1.spec > > nr_2.spec > > ... > > nr_10.spec > > > > to sort numerically by the number between the _ and the .spec, you need > > to format the them so that numerical and ascii-ordered sorting come out > > the same. This is done as > > > > nr_01.spec > > nr_02.spec > > ... > > nr_10.spec > > > > For a quick exafs experiment, two digits is probably not enough, so > > you'd want something like > > > > nr_00001.spec > > nr_00002.spec > > ... > > nr_00010.spec > > > > > > I don't recall quite how the sorting worked in the old version of Athena > > (it has been over 5 years since I stopped working on it), but my vague > > memory is that, on Windows, they were imported in the order that they > > were clicked upon the file selection dialog. The way it is currently > > done is much better in that it is reproducible. > > > > > > > > > > > > -- > > Bruce Ravel ------------------------------------ bravel(a)bnl.gov > > > > National Institute of Standards and Technology > > Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 > > Building 535A > > Upton NY, 11973 > > > > Homepage: http://xafs.org/BruceRavel > > Software: https://github.com/bruceravel > > > > > > ------------------------------ > > > > _______________________________________________ > > Ifeffit mailing list > > Ifeffit(a)millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > > > > End of Ifeffit Digest, Vol 130, Issue 22 > > **************************************** > > > > > > -- > Satty >

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Re: [Ifeffit] Athena deglitch problem
by Sathish Mayanna 16 Dec '13

16 Dec '13

*Dear Matt* > > > Now it seems working well except some minor things, I can remove the > points > > from the data, the random point selection by software works better for > > rebinned data. I think the only problem I have now is I still cannot move > > the cursor after double click (I can only remove the points which the > > software decides - at least now it choose the points where I double > click). > > When i move my mouse cursor on the plot, it shows the correct > coordinates. > > I'm still a bit confused about whether this actually working for you. > The data you sent has fairly large arrays (>2400 points), but all the > data was well-ordered in energy... I think that should "just work", > without needing re-binning. And it does for me, and I don't see how > re-binning would affect this. * If I don't rebin the data, Athena will not choose the point which I am intend to remove (I think i have some minor issues here). If I rebin the data from ~ 2400 to 350 points, Athena will work correctly.* > > I think it's always been the case that you double-click near the point > to be removed, and hope that Athena does select the one you intended. > *This works perfect for rebinned data. * > > > I have one clarifications, when u choose the option to deglitch the data > > (rebinned or non rebinned data), does the x(E) data plot looks like in > the > > attached file (line) or it looks like sets of blue round points same > size as > > cursor. > > For me, it looks very much like the image you attached. I do not see > a series of dots. > > > I think, the issue is solved except that I cannot move the randomly > chosen > > point. > > Why can't you remove the point chosen? That seems like it's not > working to me. Wasn't that the problem you were having? > *I mentioned "MOVE" in my above sentence, (Just to be more specific, when I double click on the plot to choose a point, sometimes Athena select its own random points away from the point where I clicked, when I try to drag that randomly chosen cursor to the point of my interest, it will not work), IS THIS NORMAL? * *I will try to figure out all the possible ways for non-rebinned data, if it does not work at least for now rebinned data works.* *Regards* *Sathish* > Again, it may be that I'm not understanding. Cheers, > > --Matt > > > ------------------------------ > > Message: 2 > Date: Mon, 16 Dec 2013 08:30:39 -0500 > From: Bruce Ravel <bravel(a)bnl.gov> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] Handling time resolved data > Message-ID: <52AF007F.4050600(a)bnl.gov> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > On 12/13/2013 09:00 AM, Ditty Dixon wrote: > > Dear Bruce, > > > > Recenetly we did some time resolved measurements, QEXAFS mode. While > > the old Athena arranged the file as we want i.e file 1, 2, 3 etc, the > > new did it bit different 1, 11 12 and again 2, 21 etc. Screenshot > > attached. Why is it doing diffrently for the two version? Can it be > > fixed some how. > > You haven't explained exactly where these data come from, so I am > assuming that each scan was written to its own file and these files were > imported into Athena. > > In Athena, data are imported in "ascii-betical" order, that is, sorted > in order of characters in the ASCII chart: > > http://en.wikipedia.org/wiki/ASCII#ASCII_printable_characters > > In that sense, Athena sorted your data as expected. As Chris pointed > out, if you want things like > > nr_1.spec > nr_2.spec > ... > nr_10.spec > > to sort numerically by the number between the _ and the .spec, you need > to format the them so that numerical and ascii-ordered sorting come out > the same. This is done as > > nr_01.spec > nr_02.spec > ... > nr_10.spec > > For a quick exafs experiment, two digits is probably not enough, so > you'd want something like > > nr_00001.spec > nr_00002.spec > ... > nr_00010.spec > > > I don't recall quite how the sorting worked in the old version of Athena > (it has been over 5 years since I stopped working on it), but my vague > memory is that, on Windows, they were imported in the order that they > were clicked upon the file selection dialog. The way it is currently > done is much better in that it is reproducible. > > > > > > -- > Bruce Ravel ------------------------------------ bravel(a)bnl.gov > > National Institute of Standards and Technology > Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 > Building 535A > Upton NY, 11973 > > Homepage: http://xafs.org/BruceRavel > Software: https://github.com/bruceravel > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 130, Issue 22 > **************************************** > -- Satty

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Handling time resolved data
by Ditty Dixon 16 Dec '13

16 Dec '13

Dear Bruce, Recenetly we did some time resolved measurements, QEXAFS mode. While the old Athena arranged the file as we want i.e file 1, 2, 3 etc, the new did it bit different 1, 11 12 and again 2, 21 etc. Screenshot attached. Why is it doing diffrently for the two version? Can it be fixed some how. Thank you, Ditty -- Ditty Dixon, Anorganische Chemie Karlsruhe Institute of Technology Kaiserstr 12 Karlsruhe, Germany Ph no: 004972160848093

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Re: [Ifeffit] Demeter deglitch problem
by Sathish Mayanna 15 Dec '13

15 Dec '13

Dear Matt and Bruce Thanks a lot for your help, I noticed your suggestions, regarding the deglitch problem, I installed the Demeter in another drive than in drive C. Now it seems working well except some minor things, I can remove the points from the data, the random point selection by software works better for rebinned data. I think the only problem I have now is I still cannot move the cursor after double click (I can only remove the points which the software decides - at least now it choose the points where I double click). When i move my mouse cursor on the plot, it shows the correct coordinates. I have one clarifications, when u choose the option to deglitch the data (rebinned or non rebinned data), does the x(E) data plot looks like in the attached file (line) or it looks like sets of blue round points same size as cursor. I think, the issue is solved except that I cannot move the randomly chosen point. Thanks a lot Sathish On Fri, Dec 13, 2013 at 5:10 PM, <ifeffit-request(a)millenia.cars.aps.anl.gov>wrote: > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Re: Fwd: Re: Demeter deglitch problem (Matt Newville) > 2. Handling time resolved data (Ditty Dixon) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 12 Dec 2013 13:20:05 -0600 > From: Matt Newville <newville(a)cars.uchicago.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov>, > Sathish Mayanna <satty334(a)gmail.com> > Subject: Re: [Ifeffit] Fwd: Re: Demeter deglitch problem > Message-ID: > <CA+7ESbpvTztp7Q8zTvShm8DO9yEjuo_2J6VuxtgnDWUNqk= > 1qQ(a)mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > Sathish, Bruce, > > On Thu, Dec 12, 2013 at 12:51 PM, Bruce Ravel <bravel(a)bnl.gov> wrote: > > > > Sathish, > > > > I'm sorry, Sathish, but I simply don't see this behavior, on any of > > the computers I have tried. > > > > I have no trouble putting the cursor on the point in question. It can > > be a little tricky getting the cursor on, for example, one of the > > points from 6750 to 6770. That is because of the details of the > > algorithm that tries to find the actual data point that is closest to > > whatever point was clicked on. For a data point that is not a distant > > outlier, pretty good aim is required. > > > > That said, the two points near 6864 are distant outliers. Hitting one > > and not the other might be hard, but hitting one of them is easy. > > > > I am not disputing that you are having trouble. I am just saying that > > given the data you sent and the explanation you gave, I cannot > > reproduce the behavior, so I don't know what I can do to help. > > I made what I thought were two concrete suggestions / observations to > Satish, > a) I do not see k space data, and think you probably shouldn't either. > b) If you just move the mouse around on the plot window, > do you see the correct coordinates? > > I am sure Satish read Bruce's instructions on reporting bugs, but it > would have been polite if he had followed them. He did not answer the > questions designed to help diagnose the problem. He did not respond > not to the list, but directly to Bruce. In fact, he asked Bruce if > anyone else had seen the problem! > > Satish, it would be very much appreciated if this conversation > remained on the mailing list. If a problem happens for you, it is > possible that it will happen (or has happened) for someone else. > You'll get much better help and be helping others if you use the > mailing list. > > --Matt > > > ------------------------------ > > Message: 2 > Date: Fri, 13 Dec 2013 15:00:11 +0100 > From: Ditty Dixon <ditty.dixon(a)gmail.com> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] Handling time resolved data > Message-ID: > <CABPBYUcg8DSWDnvdiK= > j9nfORORjG9n0RMYm4pVsaq6sYQYa3w(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Dear Bruce, > > Recenetly we did some time resolved measurements, QEXAFS mode. While the > old Athena arranged the file as we want i.e file 1, 2, 3 etc, the new did > it bit different 1, 11 12 and again 2, 21 etc. Screenshot attached. Why is > it doing diffrently for the two version? Can it be fixed some how. > > Thank you, > > Ditty > > > > -- > Ditty Dixon, > Anorganische Chemie > Karlsruhe Institute of Technology > Kaiserstr 12 > Karlsruhe, Germany > Ph no: 004972160848093 >

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Fwd: Re: Demeter deglitch problem
by Bruce Ravel 12 Dec '13

12 Dec '13

Sathish, I'm sorry, Sathish, but I simply don't see this behavior, on any of the computers I have tried. I have no trouble putting the cursor on the point in question. It can be a little tricky getting the cursor on, for example, one of the points from 6750 to 6770. That is because of the details of the algorithm that tries to find the actual data point that is closest to whatever point was clicked on. For a data point that is not a distant outlier, pretty good aim is required. That said, the two points near 6864 are distant outliers. Hitting one and not the other might be hard, but hitting one of them is easy. I am not disputing that you are having trouble. I am just saying that given the data you sent and the explanation you gave, I cannot reproduce the behavior, so I don't know what I can do to help. B -------- Original Message -------- Subject: Re: Demeter deglitch problem Date: Wed, 11 Dec 2013 14:59:09 +0100 From: Sathish Mayanna <satty334(a)gmail.com> To: Bruce Ravel <bravel(a)bnl.gov> Dear Bruce Thanks a lot for your time. I am sorry, I am a beginner in the field of XAS, thus was confused. Please find the attachment of one of my glitch data and an image showing the randomly chosen point at 6705 eV by software even though i double clicked at 6864 eV and in addition, I cannot move the position of randomly chosen point. I have tried both in my windows laptop and PC, it does not work in both cases. I hope this time I have provided the details you expected? Thanks Sathish On Tue, Dec 10, 2013 at 8:13 PM, Bruce Ravel <bravel(a)bnl.gov <mailto:bravel@bnl.gov>> wrote: On 12/10/2013 12:58 PM, Sathish Mayanna wrote: Dear Bruce I am sorry to contact you here, I watched your whole XAS workshop 2011 at Diamond, it was very helpful. Regarding the problem, I could not understand your message, I read the link to reports bug, I understand you cannot reproduce my problem also, I just wanted to know, if anybody had same problem like me and have any solutions. I am just wondering, does your message also means that I should send the rawdata or print screen? -- Sathish Look, I'm happy to help, but you have to give me something to work with. Obviously, I think deglitching works, otherwise I would have said something different. If you cannot give me some way of reproducing what you see on one my own computers, there is no way that I can help you. I'm not asking for a differently detailed explanation, I am asking for data and a recipe that reproduces the problem. Without that, what could I possibly do to help? B -- Bruce Ravel ------------------------------__------ bravel(a)bnl.gov <mailto:bravel@bnl.gov> National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel -- Satty

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error in ATOMS
by Julius Campecino 12 Dec '13

12 Dec '13

Hi Bruce, Here's the screen shot of my work in ATOMS. It's supposed to be more than 7 atoms in the core column but that's also one thing I do not know how to add change and add more atoms. When I click "Run Atoms", it gives me this error "Can't call method "tag" on an undefined value at C:/strawberry/perl/site/lib/Demeter/Atoms.pm line 668.'' I am using the recent version 0.9.18.2 of the Demeter installer. Thank you for your help! Julius

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