Re: [Ifeffit] Calculation of metal concentration (and hence density) from Edge Jump
Thank you, Alexey, for very useful information. Currently, I am working on XAFSmass. Technically it looks much more flexible than the software provided by SPring-8 since almost all the variables can be changed and adjusted as per the requirements. 1) However, sample information is very tedious to put in and confusing as well. Do you happen to know what exactly does M%x (is this mass % or mole %). 2) I am working on the tab with the determination of unknown concentration Label and I am interested in finding out the Fe concentration only. So I should write Fe%x (I assume). However, since I use organosilica's the formula is not so straightforward. My empirical formula for the catalyst is FeC580H382O152Si98N10F6S2. Do you think the program can handle such information? I wrote Fe%xC_580H_382O_152Si_98N_10F_6S_2. But it is giving an error that 'can not calculate concentration'. Am I doing something wrong? I have already read the pdf in the software and as such it looks not so complicated but just the syntax of writing chemical formula is different and con-conventional. Sincerely yours Pushkar On Wed, Feb 22, 2017 at 9:52 PM, Alexey Boubnov wrote: > Dear Pushkar, > > regarding your last question: the absorption edge jump (Delta µd) is the > difference in absorption before the edge and after the edge, e.g. Pt > L3-edge is at 11564 eV, so Delta(µd) = µd at 11580 eV - µd at 11550 eV. The > total absorption (µd) takes all atoms into account. You only need the > difference. I and I0 do not contain information on the sample, so they are > useless for this purpose. > > Regarding your original question (calculation of the edge jump knowing the > composition of your sample): there are programs available to calculate the > edge jump and amount of sample from the composition and total absorption, > saving you the effort with formulas and letting you focus on your sample. > Try XAFSmass (https://intranet.cells.es/Beamlines/CLAESS/software/ > xafsmass.html). > > Here you can enter the bulk composition (e.g. Fe%10SiO_2 for a silicate > with 10% Fe-content), energy (e.g. slightly above Fe K-edge: 7150 eV), > pellet area (e.g. 1.3 cm²), total absorption (e.g. µd = 1) and press > "calculate". This gives you the mass of your sample (e.g. 12 mg > [hypothetical value]) and the edge jump due to the Fe K-edge (e.g. > Delta(µd) = 0.2 [hypothetical value]). The mass and edge jump are > approximately proportional. Consequently if your pellet in reality contains > 60 mg iron silicate (5x the calculated number), absorption values will also > scale: Delta(µd) = 1.0 and µd = 5, which is a little too high. Play around > with the value of µd in the program to see the effect on mass and edge jump. > > I wish you successful calculations and experiments! > Alexey > > 2017-02-22 5:54 GMT+01:00 pushkar shejwalkar : > >> Thank you, Bruce and Alexey for your kind information. >> Bruce the communication, unfortunately, is not available on our Internet >> connection from university to download for free. Do you think it would be >> possible (under the copyrights act off course) for you send a PDF copy? The >> communication seems really interesting and I will keep the procedure in >> mind (for March Dates when we have BL for us again) to make sure that we >> have a calibration curve. (off course XRF is more reliable and easy). >> Alexey, I read the section (also some other information in that book). >> The book is really great. Thanks for sharing. >> I have already sat down with the pen and paper. but just want to know one >> thing. Is Edge Jump = Absorbance?? or we need to calculate the absorbance >> by actually practically finding out the I and Io? >> e.g. if edge jump = absorbance I can modify the equation I = Io^e-upd >> into its A form. If not I will use ion chamber gas ratio to calculate the I >> and Io respectively. >> Which way is more correct? >> Best Regards >> Pushkar >> >> On Tue, Feb 21, 2017 at 10:15 PM, Bruce Ravel wrote: >> >>> >>> >>> This might help: https://doi.org/10.1107/S1600577514001283 >>> >>> Note that we measured a sequence of standards of known thickness and >>> concentration /prior/ to the rest of the experiment, so the methodology in >>> that paper might not be useful after the fact in the absence of that prep >>> work. >>> >>> B >>> >>> >>> On 02/20/2017 10:19 PM, pushkar shejwalkar wrote: >>> Dear All, First of all, is it possible to calculate the concentration of metal (loading, therefore) from just the edge jump? Is there a simpler equation like knowing the Flux values or some basic instrumental information we can calculate the concentration term using Io and It values of beamline (the simplest form of Beer-lambert law)? if so what formula should we use. I searched in the mailing list archive and have found one such archive but it discusses how to use calculation to find out how much sample would be needed to get the edge jump. I am rather interested in the r
Re: [Ifeffit] command buffer input
I still don't really understand the problem. You are describing something I haven't seen before but you're not giving me any way to visualize or reproduce the problem. Are you telling me that the command buffer window does not look like this on certain Windows computers? http://bruceravel.github.io/demeter/documents/Artemis/monitor.html#the-command-buffer Does it help to resize the window? B On 02/21/2017 03:03 PM, Karl-Michael Schindler wrote: Am 21.02.2017 um 20:17 schrieb Bruce Ravel : OK you didn't tell us exactly what you tried to do, you didn't tell us what you expected to happen, and you didn't tell us what actually happened. I don't know if this a bug report or a question or something else? B OK, I try again. In Artemis I select the menu Monitor → Show command buffer and the corresponding panel Ifeffit & Plot Buffer opens. In this panel i use the command prompt to enter commands like write_data or others. The problems is that unter Windows Server I do not get an active cursor in the text filed of the command prompt and i cannot enter any character, what ever i try and yesterday it also happened under Mac OS X → VirtualBox → Windows XP. Today the latter works again, but the trouble with the Windows Server is permanent. So, what could be the reason, why I cannot use the command prompt and how can i fix it? My main use of this is to export data for further processing in IgorPro. My current workaround is to check the files in the folder Stash and load the data from there. Michael. ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/ ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
Re: [Ifeffit] Calculation of metal concentration (and hence density) from Edge Jump
Dear Pushkar, regarding your last question: the absorption edge jump (Delta µd) is the difference in absorption before the edge and after the edge, e.g. Pt L3-edge is at 11564 eV, so Delta(µd) = µd at 11580 eV - µd at 11550 eV. The total absorption (µd) takes all atoms into account. You only need the difference. I and I0 do not contain information on the sample, so they are useless for this purpose. Regarding your original question (calculation of the edge jump knowing the composition of your sample): there are programs available to calculate the edge jump and amount of sample from the composition and total absorption, saving you the effort with formulas and letting you focus on your sample. Try XAFSmass ( https://intranet.cells.es/Beamlines/CLAESS/software/xafsmass.html). Here you can enter the bulk composition (e.g. Fe%10SiO_2 for a silicate with 10% Fe-content), energy (e.g. slightly above Fe K-edge: 7150 eV), pellet area (e.g. 1.3 cm²), total absorption (e.g. µd = 1) and press "calculate". This gives you the mass of your sample (e.g. 12 mg [hypothetical value]) and the edge jump due to the Fe K-edge (e.g. Delta(µd) = 0.2 [hypothetical value]). The mass and edge jump are approximately proportional. Consequently if your pellet in reality contains 60 mg iron silicate (5x the calculated number), absorption values will also scale: Delta(µd) = 1.0 and µd = 5, which is a little too high. Play around with the value of µd in the program to see the effect on mass and edge jump. I wish you successful calculations and experiments! Alexey 2017-02-22 5:54 GMT+01:00 pushkar shejwalkar : > Thank you, Bruce and Alexey for your kind information. > Bruce the communication, unfortunately, is not available on our Internet > connection from university to download for free. Do you think it would be > possible (under the copyrights act off course) for you send a PDF copy? The > communication seems really interesting and I will keep the procedure in > mind (for March Dates when we have BL for us again) to make sure that we > have a calibration curve. (off course XRF is more reliable and easy). > Alexey, I read the section (also some other information in that book). The > book is really great. Thanks for sharing. > I have already sat down with the pen and paper. but just want to know one > thing. Is Edge Jump = Absorbance?? or we need to calculate the absorbance > by actually practically finding out the I and Io? > e.g. if edge jump = absorbance I can modify the equation I = Io^e-upd into > its A form. If not I will use ion chamber gas ratio to calculate the I and > Io respectively. > Which way is more correct? > Best Regards > Pushkar > > On Tue, Feb 21, 2017 at 10:15 PM, Bruce Ravel wrote: > >> >> >> This might help: https://doi.org/10.1107/S1600577514001283 >> >> Note that we measured a sequence of standards of known thickness and >> concentration /prior/ to the rest of the experiment, so the methodology in >> that paper might not be useful after the fact in the absence of that prep >> work. >> >> B >> >> >> On 02/20/2017 10:19 PM, pushkar shejwalkar wrote: >> >>> Dear All, >>> First of all, is it possible to calculate the concentration of metal >>> (loading, therefore) from just the edge jump? Is there a simpler >>> equation like knowing the Flux values or some basic instrumental >>> information we can calculate the concentration term using Io and It >>> values of beamline (the simplest form of Beer-lambert law)? if so what >>> formula should we use. >>> I searched in the mailing list archive and have found one such archive >>> but it discusses how to use calculation to find out how much sample >>> would be needed to get the edge jump. I am rather interested in the >>> reverse way. I have an experimental edge jump and want to calculate (if >>> possible with as much accuracy as possible) the concentration of metal. >>> I know with only edge jump it will be difficult and XRF will be a better >>> and more reliable way. But for better understanding and cross checking >>> between different samples, I wish to do such calculations. >>> Can anyone guide me to the right direction and equations to do such >>> calculations? >>> Thank you all in advance >>> Warmest regards >>> Pushkar >>> >>> -- >>> Best Regards, >>> Pushkar Shejwalkar. >>> Post-doctoral -Researcher, >>> Tokyo Engineering University, >>> Tokyo-to >>> Japan >>> >>> >>> >>> ___ >>> Ifeffit mailing list >>> Ifeffit@millenia.cars.aps.anl.gov >>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >>> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit >>> >>> >> >> -- >> Bruce Ravel bra...@bnl.gov >> >> National Institute of Standards and Technology >> Synchrotron Science Group at NSLS-II >> Building 743, Room 114 >> Upton NY, 11973 >> >> Homepage:http://bruceravel.github.io/home/ >> Software:https://github.com/bruceravel >> Demeter: http
