[Ifeffit] Peaks in MCA spectra

Mon Mar 31 22:57:32 CDT 2014

Hi Matt,

Thanks for your reply. Please see below.

On Mon, Mar 31, 2014 at 8:10 PM, Matt Newville
<newville at cars.uchicago.edu>wrote:

> Hi George,
>
> Calibrated spectra would help, but if we guess the calibration is 0.56
> bins/ eV, then we'd have
>

I've attached a plot of the data showing the x-axis in keV. Also, as
requested by Zack, I've attached a two column data file.

>
>   line             E (eV)       bin #
> ---------------------------------------------
> Co La1,2       775          434
> O Ka1,2         525          294
> C Ka1,2         277          155
>
> which looks  pretty good.     This puts the the unknown peak near
> 380/0.56 which is 678 eV.   Tthat's very close to Co Ll (M1->L3),
> which is at 677 eV, and should be a bit less than 10%  of Co La1 and
> La2, which is roughly right.
>

Based on fitting the spectrum with Gaussians, the Co LI is 24% of the La2.
As you mention, a value of roughly 10% is expected. What could cause such a
discrepancy?

>
> So, I think it's Co Ll.  That says the sample is just Co, C, and O.
> Is that reasonable?
>

Yes, it is. I think maybe a little fluorine too, but it is very weak as I
mention in my response to Matthew.

>
> What surprises me is that there is no signal from the elastic peak.
> Was that somehow filtered out?

No, if there is an elastic peak it is probably lost under the Co La2.

Thanks,
George

> The fact that the counts don't go to
> zero between C and O could be many factors, including incomplete
> charge collection.  This (and Compton scattering) generally make peaks
> have a slightly non-Gaussian shape, with a low-energy tail.
>

>
> Cheers,
>
> --Matt
>
> On Mon, Mar 31, 2014 at 5:01 PM, George Sterbinsky
> <GeorgeSterbinsky at u.northwestern.edu> wrote:
> > Hello,
> >
> > I am writing with a general XAS question. It does not necessarily
> pertain to
> > Ifeffit, however, I think the topic is something some, maybe most, list
> > members will be knowledgeable about. So it seems like this list is a good
> > place to post this question.
> >
> > On to the question. I have attached a plot of a MCA spectrum collected
> with
> > a vortex silicon drift detector. The spectrum is actually the average of
> > several spectra, all collected in the post edge region of the Co L-edge.
> The
> > spectra were averaged to reduce noise. The three peaks result from
> > fluorescence from carbon, oxygen, and cobalt. Low-energy shoulders on
> the Co
> > and O peaks are also observed. These can be seen as the regions of the
> > spectrum that are not well reproduced by the fit. The main reason I
> included
> > the fit in the plot is to illustrate the presence of these shoulders,
> > particularly in the oxygen florescence, where the additional intensity is
> > not so obvious.
> >
> > I am writing to see if anyone has any suggestion as to what the origins
> of
> > these peaks might be. They are not due to additional elements, as they
> > appear at the same incident energies as the main florescence peaks, i.e.
> the
> > Co shoulder appears at the same incident energies as the main Co peak,
> and
> > the O shoulder appears at the same incident energies as the main O peak.
> It
> > is possible that the peaks result form other transitions. Considering Co,
> > the main peak is due to L3/L2-M4 transitions, and the shoulder is in a
> > position that could be consistent with L3/L2-M1 transitions. However, by
> > fitting the peaks with Gaussians, one finds an area for the shoulder
> that is
> > about 25% of the area of the main peak. This is significantly larger than
> > what one might expect from tabulated transition strengths like those
> given
> > in Hephaestus.
> >
> > To summarize, does anyone know what these shoulders might result from if
> not
> > lower energy transitions? If they are low energy transitions, why would
> the
> > relative transition strengths differ from tabulated values?
> >
> > Thank you,
> > George
> >
> >
> >
> >
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> >
>
>
>
> --
> --Matt Newville <newville at cars.uchicago.edu> 630-252-0431
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
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#energy keV	#counts
0.008113464	0
0.00990213	0
0.011690795	1
0.013479461	0
0.015268126	0
0.017056792	0
0.018845457	0
0.020634123	0
0.022422788	0
0.024211454	0
0.026000119	0
0.027788785	0
0.02957745	0
0.031366116	0
0.033154781	0
0.034943447	1
0.036732112	1
0.038520778	0
0.040309443	1
0.042098109	0
0.043886774	0
0.04567544	1
0.047464105	1
0.049252771	0
0.051041436	0
0.052830102	1
0.054618767	1
0.056407433	0
0.058196098	2
0.059984764	3
0.061773429	1
0.063562095	0
0.06535076	1
0.067139426	0
0.068928091	0
0.070716757	1
0.072505422	0
0.074294088	1
0.076082753	0
0.077871419	2
0.079660084	0
0.08144875	0
0.083237415	0
0.085026081	1
0.086814746	0
0.088603412	0
0.090392077	0
0.092180743	1
0.093969408	0
0.095758074	0
0.097546739	0
0.099335405	2
0.10112407	0
0.102912736	0
0.104701401	1
0.106490067	2
0.108278732	0
0.110067398	0
0.111856063	0
0.113644729	1
0.115433394	1
0.11722206	0
0.119010725	1
0.120799391	0
0.122588056	1
0.124376722	2
0.126165387	0
0.127954053	2
0.129742718	1
0.131531384	1
0.133320049	1
0.135108715	2
0.13689738	2
0.138686046	4
0.140474711	3
0.142263377	6
0.144052042	1
0.145840708	3
0.147629373	3
0.149418039	4
0.151206704	4
0.15299537	6
0.154784035	3
0.156572701	9
0.158361366	8
0.160150032	8
0.161938697	6
0.163727363	10
0.165516028	6
0.167304694	5
0.169093359	10
0.170882025	13
0.17267069	13
0.174459356	14
0.176248021	10
0.178036687	19
0.179825352	19
0.181614018	20
0.183402683	20
0.185191349	28
0.186980014	26
0.18876868	24
0.190557345	30
0.192346011	23
0.194134676	27
0.195923342	30
0.197712007	37
0.199500673	37
0.201289338	44
0.203078004	41
0.204866669	62
0.206655335	50
0.208444	61
0.210232666	51
0.212021331	58
0.213809997	75
0.215598662	63
0.217387328	73
0.219175993	85
0.220964659	70
0.222753324	80
0.22454199	68
0.226330655	91
0.228119321	93
0.229907986	109
0.231696652	110
0.233485317	109
0.235273983	127
0.237062648	115
0.238851314	106
0.240639979	132
0.242428645	127
0.24421731	138
0.246005976	151
0.247794641	158
0.249583307	172
0.251371972	164
0.253160638	193
0.254949303	213
0.256737969	189
0.258526634	200
0.2603153	178
0.262103965	220
0.263892631	221
0.265681296	237
0.267469962	218
0.269258627	246
0.271047293	230
0.272835958	236
0.274624624	252
0.276413289	242
0.278201955	222
0.27999062	219
0.281779286	241
0.283567951	241
0.285356617	283
0.287145282	238
0.288933948	219
0.290722613	262
0.292511279	239
0.294299944	234
0.29608861	260
0.297877275	231
0.299665941	217
0.301454606	213
0.303243272	235
0.305031937	208
0.306820603	236
0.308609268	229
0.310397934	188
0.312186599	190
0.313975265	193
0.31576393	172
0.317552596	199
0.319341261	195
0.321129927	184
0.322918592	185
0.324707258	185
0.326495923	179
0.328284589	167
0.330073254	153
0.33186192	172
0.333650585	184
0.335439251	168
0.337227916	146
0.339016582	174
0.340805247	153
0.342593913	162
0.344382578	171
0.346171244	158
0.347959909	148
0.349748575	147
0.35153724	169
0.353325906	144
0.355114571	182
0.356903237	154
0.358691902	137
0.360480568	156
0.362269233	165
0.364057899	168
0.365846564	155
0.36763523	145
0.369423895	150
0.371212561	155
0.373001226	165
0.374789892	158
0.376578557	157
0.378367223	157
0.380155888	180
0.381944554	151
0.383733219	178
0.385521885	149
0.38731055	177
0.389099216	179
0.390887881	175
0.392676547	186
0.394465212	203
0.396253878	181
0.398042543	189
0.399831209	220
0.401619874	195
0.40340854	189
0.405197205	188
0.406985871	226
0.408774536	217
0.410563202	218
0.412351867	226
0.414140533	254
0.415929198	197
0.417717864	211
0.419506529	236
0.421295195	244
0.42308386	255
0.424872526	264
0.426661191	296
0.428449857	277
0.430238522	289
0.432027188	246
0.433815853	281
0.435604519	259
0.437393184	281
0.43918185	308
0.440970515	291
0.442759181	320
0.444547846	311
0.446336512	317
0.448125177	307
0.449913843	341
0.451702508	358
0.453491174	388
0.455279839	374
0.457068505	357
0.45885717	403
0.460645836	391
0.462434501	426
0.464223167	399
0.466011832	420
0.467800498	439
0.469589163	429
0.471377829	463
0.473166494	480
0.47495516	496
0.476743825	527
0.478532491	529
0.480321156	565
0.482109822	520
0.483898487	539
0.485687153	638
0.487475818	608
0.489264484	631
0.491053149	635
0.492841815	635
0.49463048	686
0.496419146	689
0.498207811	709
0.499996477	693
0.501785142	758
0.503573808	775
0.505362473	788
0.507151139	816
0.508939804	811
0.51072847	837
0.512517135	816
0.514305801	843
0.516094466	889
0.517883132	895
0.519671797	903
0.521460463	896
0.523249128	971
0.525037794	931
0.526826459	935
0.528615125	920
0.53040379	948
0.532192456	958
0.533981121	923
0.535769787	947
0.537558452	919
0.539347118	900
0.541135783	921
0.542924449	964
0.544713114	848
0.54650178	941
0.548290445	840
0.550079111	861
0.551867776	846
0.553656442	831
0.555445107	862
0.557233773	803
0.559022438	723
0.560811104	743
0.562599769	685
0.564388435	729
0.5661771	646
0.567965766	633
0.569754431	597
0.571543097	604
0.573331762	652
0.575120428	575
0.576909093	599
0.578697759	575
0.580486424	557
0.58227509	530
0.584063755	544
0.585852421	512
0.587641086	493
0.589429752	463
0.591218417	474
0.593007083	421
0.594795748	455
0.596584414	440
0.598373079	448
0.600161745	438
0.60195041	457
0.603739076	418
0.605527741	432
0.607316407	477
0.609105072	460
0.610893738	478
0.612682403	508
0.614471069	489
0.616259734	494
0.6180484	462
0.619837065	517
0.621625731	526
0.623414396	543
0.625203062	544
0.626991727	533
0.628780393	643
0.630569058	604
0.632357724	621
0.634146389	686
0.635935055	695
0.63772372	677
0.639512386	752
0.641301051	810
0.643089717	828
0.644878382	814
0.646667048	848
0.648455713	957
0.650244379	932
0.652033044	981
0.65382171	1049
0.655610375	1047
0.657399041	1195
0.659187706	1118
0.660976372	1179
0.662765037	1155
0.664553703	1238
0.666342368	1263
0.668131034	1300
0.669919699	1362
0.671708365	1340
0.67349703	1405
0.675285696	1411
0.677074361	1435
0.678863027	1498
0.680651692	1423
0.682440358	1508
0.684229023	1519
0.686017689	1546
0.687806354	1570
0.68959502	1574
0.691383685	1573
0.693172351	1700
0.694961016	1654
0.696749682	1730
0.698538347	1794
0.700327013	1704
0.702115678	1792
0.703904344	1837
0.705693009	1844
0.707481675	1876
0.70927034	1924
0.711059006	1945
0.712847671	2008
0.714636337	1966
0.716425002	2042
0.718213668	2123
0.720002333	2199
0.721790999	2248
0.723579664	2286
0.72536833	2452
0.727156995	2550
0.728945661	2511
0.730734326	2734
0.732522992	2761
0.734311657	2992
0.736100323	3022
0.737888988	3142
0.739677654	3163
0.741466319	3456
0.743254985	3537
0.74504365	3613
0.746832316	3696
0.748620981	4073
0.750409647	4192
0.752198312	4415
0.753986978	4486
0.755775643	4556
0.757564309	4809
0.759352974	4967
0.76114164	5012
0.762930305	5261
0.764718971	5369
0.766507636	5723
0.768296302	5672
0.770084967	5706
0.771873633	5981
0.773662298	6168
0.775450964	6022
0.777239629	6233
0.779028295	6384
0.78081696	6416
0.782605626	6322
0.784394291	6594
0.786182957	6605
0.787971622	6568
0.789760288	6533
0.791548953	6429
0.793337619	6350
0.795126284	6453
0.79691495	6469
0.798703615	6112
0.800492281	6165
0.802280946	6021
0.804069612	5947
0.805858277	5793
0.807646943	5754
0.809435608	5583
0.811224274	5497
0.813012939	5148
0.814801605	5143
0.81659027	4936
0.818378936	4711
0.820167601	4570
0.821956267	4266
0.823744932	4127
0.825533598	4066
0.827322263	3810
0.829110929	3650
0.830899594	3353
0.83268826	3310
0.834476925	3032
0.836265591	2892
0.838054256	2699
0.839842922	2503
0.841631587	2361
0.843420253	2241
0.845208918	2061
0.846997584	1868
0.848786249	1849
0.850574915	1662
0.85236358	1539
0.854152246	1391
0.855940911	1325
0.857729577	1133
0.859518242	1040
0.861306908	986
0.863095573	903
0.864884239	781
0.866672904	676
0.86846157	649
0.870250235	618
0.872038901	553
0.873827566	497
0.875616232	427
0.877404897	390
0.879193563	350
0.880982228	274
0.882770894	299
0.884559559	257
0.886348225	224
0.88813689	228
0.889925556	161
0.891714221	155
0.893502887	146
0.895291552	129
0.897080218	109
0.898868883	105
0.900657549	90
0.902446214	93
0.90423488	66
0.906023545	62
0.907812211	43
0.909600876	57
0.911389542	39
0.913178207	37
0.914966873	31
0.916755538	35
0.918544204	27
0.920332869	34
0.922121535	19
0.9239102	18
0.925698866	19
0.927487531	21
0.929276197	22
0.931064862	18
0.932853528	21
0.934642193	11
0.936430859	13
0.938219524	16
0.94000819	14
0.941796855	15
0.943585521	20
0.945374186	10
0.947162852	17
0.948951517	11
0.950740183	14
0.952528848	9
0.954317514	20
0.956106179	13
0.957894845	11
0.95968351	12
0.961472176	12
0.963260841	18
0.965049507	13
0.966838172	13
0.968626838	13
0.970415503	10
0.972204169	11
0.973992834	7
0.9757815	10
0.977570165	10
0.979358831	12
0.981147496	11
0.982936162	12
0.984724827	15
0.986513493	9
0.988302158	13
0.990090824	12
0.991879489	7
0.993668155	8
0.99545682	9
0.997245486	13
0.999034151	4
1.000822817	10
1.002611482	5
1.004400148	11
1.006188813	7
1.007977479	7
1.009766144	8
1.01155481	10
1.013343475	4
1.015132141	6
1.016920806	10
1.018709472	11
1.020498137	15
1.022286803	5
1.024075468	4
1.025864134	7
1.027652799	9
1.029441465	4
1.03123013	12
1.033018796	5
1.034807461	5
1.036596127	7
1.038384792	6
1.040173458	10
1.041962123	8
1.043750789	8
1.045539454	5
1.04732812	10
1.049116785	14
1.050905451	6
1.052694116	6
1.054482782	8
1.056271447	12
1.058060113	3
1.059848778	10
1.061637444	9
1.063426109	6
1.065214775	9
1.06700344	10
1.068792106	10
1.070580771	6
1.072369437	12
1.074158102	5
1.075946768	11
1.077735433	7
1.079524099	7
1.081312764	5
1.08310143	10
1.084890095	5
1.086678761	7
1.088467426	8
1.090256092	8
1.092044757	10
1.093833423	8
1.095622088	6
1.097410754	9
1.099199419	8
1.100988085	1
1.10277675	6
1.104565416	5
1.106354081	5
1.108142747	9
1.109931412	5
1.111720078	1
1.113508743	6
1.115297409	10
1.117086074	6
1.11887474	3
1.120663405	7
1.122452071	5
1.124240736	8
1.126029402	5
1.127818067	7
1.129606733	9
1.131395398	13
1.133184064	7
1.134972729	9
1.136761395	8
1.13855006	1
1.140338726	10
1.142127391	12
1.143916057	3
1.145704722	9
1.147493388	4
1.149282053	10
1.151070719	9
1.152859384	6
1.15464805	4
1.156436715	9
1.158225381	6
1.160014046	4
1.161802712	5
1.163591377	7
1.165380043	9
1.167168708	12
1.168957374	9
1.170746039	10
1.172534705	6
1.17432337	10
1.176112036	8
1.177900701	5
1.179689367	9
1.181478032	11
1.183266698	14
1.185055363	15
1.186844029	10
1.188632694	10
1.19042136	10
1.192210025	6
1.193998691	9
1.195787356	13
1.197576022	11
1.199364687	8
1.201153353	14
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