#F f0_dabax.dat #D Fri May 2 09:38:54 2008 #UT Parametrization of f0 (the non-dispersive part of the atomic scttering factor) vs sin(theta/lambda). #UF0TYPE PARAMETRIZATION ; TABLE OR PARAMETRIZATION? #UIDL xf0 #C This file has been created using f0_xop.pro #C This file belongs to the DABAX library. More information on #C DABAX can be found at: #C http://ftp.esrf.eu/pub/scisoft/DabaxFiles/ #UD Parametrization of f0 (the non-dispersive part of the atomic scttering factor) vs sin(theta/lambda). #UD This file contains a Waasmaier&Kirfel-like parametrization #UD for the f0 data evaluated by Kissel using modified relativistic form #UD factor [1]. For the fitting, model and the data error as in [2] are used. #UD The parametrization was calculating by fitting the #UD original data in the RTAB database [1] (also in the DABAX file #UD f0_mf_Kissel.dat) using the MPFIT IDL procedure of Markwardt #UD (http://cow.physics.wisc.edu/~craigm/idl/idl.html) usind the #UD function [2]: #UD f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ] #UD i=1,5 #UD #UD where k = sin(theta) / lambda and c, a_i and b_i #UD are the coefficients tabulated in this file (in columns: #UD a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UD #UD References #UD [1] L. Kissel, Radiation physics and chemistry 59 (2000) 185-200 #UD available at: #UD http://www-phys.llnl.gov/Research/scattering/RTAB.html #UD [2] D. Waasmaier & A. Kirfel (Acta Cryst. (1995). A51, 416-413) #UD #UD #UD Remarks: #UD 1) This file contains data for only neutral atoms. For ionic states #UD other DABAX files (like f0_WaasKirf.dat) could be used. #UD 2) The coefficients in this file are prepared for xop2.1 and are #UD unpublished. Some fitting parameters can be found in the keywords #UD for each element. The IDL program used to create it is available #UD under request (contact srio@esrf.fr) #UD 3) We created this file for being used as a default for XOP2.1. The #UD reasons were two: #UD i) It is more practical to use a parametrization rather than to use #UD the direct fata in file f0_mf.dat because of spped and storage #UD reasons. #UD ii) The previous defaulty file for XOP 2.0 was f0_WaasKirf.dat, which #UD contained a published parametrization [2], but the original data #UD is from the International Tables for X-ray Crystallography, vol C, #UD (1995) Edited by AJC Wilson, Kluwer Academic Press, table 6.1.1.3 #UD which contains data from multiple origins (and references). We #UD prefer to use evaluated data in the same conditions for all elements #UD to keep some consistency in their origin. #UD Additionally, Kissel data for f1f2 and CrossSec are also used in XOP. #UD #UD Column description: a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UD #UD #UD Modified 2005-05-02 srio@esrf.eu, fixed WaasKird data in guess keyword #S 1 H #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 41 #UO MPFIT Parameter error: [0.028242309,0.020248385,0.014038977,0.028629525,0.0023277653,6.4330346e-05,0.86729996,1.7325327,0.37672770,3.1751691,0.12257234] #UO MPFIT Standard Dev: 1.1616029e-05 #UO MPFIT Max relative dev: 10.269206 #UO MPFIT Average relative dev: 0.68612216 #UP MPFIT guess (Waasmaier&Kirfel) data: 0.41304800 0.29495300 0.18749100 0.08070100 0.02373600 0.00004900 15.56994600 32.39846800 5.71140400 61.88987400 1.33411800 0.30426303 0.45440815 0.07977026 0.15268426 0.00871624 0.00006937 9.61768510 23.52152246 3.33237545 53.49579285 0.80301704 #S 2 He #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 19 #UO MPFIT Parameter error: [0.016736395,0.017749382,0.015191345,0.020244339,0.0031724104,8.9721539e-05,0.33981851,0.15627573,0.058098516,0.67729736,0.018744624] #UO MPFIT Standard Dev: 3.0709220e-05 #UO MPFIT Max relative dev: 2.0887328 #UO MPFIT Average relative dev: 0.13728398 #UP MPFIT guess (Waasmaier&Kirfel) data: 0.73235400 0.75389600 0.28381900 0.19000300 0.03913900 0.00048700 11.55391800 4.59583100 1.54629900 26.46396400 0.37752300 0.79971010 0.63926998 0.25291139 0.27260951 0.03475295 0.00044196 10.35354478 3.93677741 1.38554540 25.50380187 0.34363759 #S 3 Li #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 13 #UO MPFIT Parameter error: [0.0050036842,0.0022863967,0.018499716,0.018885788,0.0037823269,8.9568668e-05,0.015837983,0.0030801135,0.95469155,3.3852740,0.0083249231] #UO MPFIT Standard Dev: 0.00044095927 #UO MPFIT Max relative dev: 2.1208866 #UO MPFIT Average relative dev: 0.15257155 #UP MPFIT guess (Waasmaier&Kirfel) data: 0.97463700 0.15847200 0.81185500 0.26241600 0.79010800 0.00254200 4.33494600 0.34245100 97.10296600 201.36383100 1.40923400 0.93188799 0.17034671 0.71602201 0.35839485 0.82020547 0.00260460 4.17494209 0.33818181 85.52950781 175.66836887 1.37984909 #S 4 Be #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 7 #UO MPFIT Parameter error: [0.0085500529,0.0047641311,0.0088815852,0.0038541638,0.0072350810,0.00016266461,0.13671716,0.0067767463,0.49716758,0.0029587052,0.0080516167] #UO MPFIT Standard Dev: 0.00011150408 #UO MPFIT Max relative dev: 0.35613746 #UO MPFIT Average relative dev: 0.020819180 #UP MPFIT guess (Waasmaier&Kirfel) data: 1.53371200 0.63828300 0.60105200 0.10613900 1.11841400 0.00251100 42.66207900 0.59542000 99.10649900 0.15134000 1.84309300 1.35769775 0.71952631 0.76849159 0.14970777 0.99985829 0.00347440 37.89541686 0.66643295 92.11060309 0.17800503 1.90321664 #S 5 B #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.0037448963,0.012340197,0.0040320409,0.0069991748,0.0074347357,0.00032101190,0.030779507,0.0075726446,0.16044276,0.0032038851,0.0073583412] #UO MPFIT Standard Dev: 0.00057588270 #UO MPFIT Max relative dev: 0.095347398 #UO MPFIT Average relative dev: 0.0050482728 #UP MPFIT guess (Waasmaier&Kirfel) data: 2.08518500 1.06458000 1.06278800 0.14051500 0.64178400 0.00382300 23.49406800 1.13789400 61.23897600 0.11488600 0.39903600 2.11021585 0.94826030 1.03175074 0.17991800 0.72039282 0.00538888 21.36228681 1.17425000 65.42872639 0.12888999 0.44259026 #S 6 C #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 130 #UO MPFIT Parameter error: [0.0031954619,0.0045084443,0.0034379351,5310.0977,0.0040101797,5310.0988,0.013130263,0.0023668901,0.072282004,0.0019445261,0.0013928753] #UO MPFIT Standard Dev: 0.0014607438 #UO MPFIT Max relative dev: 0.23856377 #UO MPFIT Average relative dev: 0.014253162 #UP MPFIT guess (Waasmaier&Kirfel) data: 2.65750600 1.07807900 1.49090900 -4.24107000 0.71379100 4.29798300 14.78075800 0.77677500 42.08684200 -0.00029400 0.23953500 2.75491071 1.06083859 1.39000885 -61.38969569 0.72824752 61.44921510 13.55853062 0.76518509 43.40152845 -0.00002249 0.23756415 #S 7 N #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 95 #UO MPFIT Parameter error: [0.0031499736,0.014796608,0.015971976,0.026347319,0.0028873001,0.00023637695,0.00057526138,0.17499855,0.47264382,0.036065768,0.0012390661] #UO MPFIT Standard Dev: 0.00018562500 #UO MPFIT Max relative dev: 0.16323054 #UO MPFIT Average relative dev: 0.010618552 #UP MPFIT guess (Waasmaier&Kirfel) data: 11.89378000 3.27747900 1.85809200 0.85892700 0.91298500 -11.80490200 0.00015800 10.23272300 30.34469000 0.65606500 0.21728700 0.59731711 2.28313328 0.63580984 2.26859990 1.18920099 0.02241857 0.13665445 17.86124963 47.32019642 7.67047709 0.49262938 #S 8 O #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.013715634,0.023505099,0.0043571911,0.013688094,0.0041327877,0.00036514444,0.090821120,0.021411812,0.00062419672,0.25121764,0.0012955191] #UO MPFIT Standard Dev: 9.1789663e-05 #UO MPFIT Max relative dev: 0.070130529 #UO MPFIT Average relative dev: 0.0045335268 #UP MPFIT guess (Waasmaier&Kirfel) data: 2.96042700 2.50881800 0.63785300 0.72283800 1.14275600 0.02701400 14.18225900 5.93685800 0.11272600 34.95848100 0.39024000 2.85010001 2.54410664 0.64919585 0.79765894 1.12558170 0.02853916 12.89518279 5.45538842 0.11296751 35.32893278 0.38721225 #S 9 F #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.013191490,0.021742494,0.0063541073,0.012256233,0.0061735716,0.00059448818,0.053926653,0.014254831,0.00072822774,0.15194468,0.0015433567] #UO MPFIT Standard Dev: 8.4747049e-05 #UO MPFIT Max relative dev: 0.034964156 #UO MPFIT Average relative dev: 0.0021204799 #UP MPFIT guess (Waasmaier&Kirfel) data: 3.51194300 2.77224400 0.67838500 0.91515900 1.08926100 0.03255700 10.68785900 4.38046600 0.09398200 27.25520300 0.31306600 3.40542650 2.84112029 0.71156027 0.94857450 1.05115146 0.03584797 9.84065316 4.07801707 0.09701872 27.57669889 0.31753486 #S 10 Ne #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.012301349,0.019749095,0.0090530676,0.011234409,0.0089321736,0.00090513934,0.034425791,0.0097822820,0.00083678967,0.10019532,0.0019371209] #UO MPFIT Standard Dev: 0.00010011184 #UO MPFIT Max relative dev: 0.019961481 #UO MPFIT Average relative dev: 0.0013701636 #UP MPFIT guess (Waasmaier&Kirfel) data: 4.18374900 2.90572600 0.52051300 1.13564100 1.22806500 0.02557600 8.17545700 3.25253600 0.06329500 21.81391000 0.22495200 3.93418627 3.17292749 0.78988890 1.08878497 0.96122888 0.04476065 7.82568355 3.17536738 0.08620371 22.24803408 0.27139624 #S 11 Na #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 21 #UO MPFIT Parameter error: [0.0073820342,0.0082362329,0.0049820313,0.00069834822,0.0042906164,0.00053967056,0.0039141290,0.012048048,0.00037619874,0.13832723,0.0032679105] #UO MPFIT Standard Dev: 0.0016371913 #UO MPFIT Max relative dev: 0.055164507 #UO MPFIT Average relative dev: 0.0046937758 #UP MPFIT guess (Waasmaier&Kirfel) data: 4.91012700 3.08178300 1.26206700 1.09893800 0.56099100 0.07971200 3.28143400 9.11917800 0.10276300 132.01394700 0.40587800 4.67888021 3.31246434 1.20302749 1.11030781 0.60080617 0.07903453 2.97160025 8.01401365 0.09917076 119.87596938 0.36875620 #S 12 Mg #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 22 #UO MPFIT Parameter error: [0.0097797215,0.0080000741,0.00042140232,0.0067205062,0.011050793,0.00024935888,0.0067390780,0.28132385,7.8678839e-05,0.23014769,0.0032535814] #UO MPFIT Standard Dev: 0.0021508631 #UO MPFIT Max relative dev: 0.13665462 #UO MPFIT Average relative dev: 0.010581125 #UP MPFIT guess (Waasmaier&Kirfel) data: 4.70897100 1.19481400 1.55815700 1.17041300 3.23940300 0.12684200 4.87520700 108.50608100 0.11151600 48.29240800 1.92817100 4.85834741 1.50402245 1.53555848 0.95416075 3.00404753 0.13060425 4.35307904 95.26343316 0.11044872 31.99246407 1.75670443 #S 13 Al #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.012537082,0.0052685054,0.00046052639,0.0060045160,0.012955993,0.00032509618,0.0051052061,0.076899895,8.2981564e-05,0.38077557,0.0029285580] #UO MPFIT Standard Dev: 0.00087736182 #UO MPFIT Max relative dev: 0.076215594 #UO MPFIT Average relative dev: 0.0059028836 #UP MPFIT guess (Waasmaier&Kirfel) data: 4.73079600 2.31395100 1.54198000 1.11756400 3.15475400 0.13950900 3.62893100 43.05116700 0.09596000 108.93238800 1.55591800 4.68669359 2.38879059 1.52287056 1.07903978 3.16354871 0.14361992 3.40015051 36.83643520 0.09557493 114.27524168 1.47492947 #S 14 Si #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.017371199,0.0057486838,0.00057743917,0.0064280011,0.017522374,0.00045452533,0.0042032449,0.044414012,9.5378418e-05,0.26813513,0.0034319157] #UO MPFIT Standard Dev: 0.00028476605 #UO MPFIT Max relative dev: 0.041621457 #UO MPFIT Average relative dev: 0.0029038668 #UP MPFIT guess (Waasmaier&Kirfel) data: 5.27532900 3.19103800 1.51151400 1.35684900 2.51911400 0.14507300 2.63133800 33.73072800 0.08111900 86.28864300 1.17008700 4.98816795 3.35710271 1.50292204 1.22172882 2.76143663 0.15142442 2.53600438 29.97580504 0.08254945 88.73513838 1.16712390 #S 15 P #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 6 #UO MPFIT Parameter error: [0.020302860,0.0057401072,0.00076299613,0.0063329229,0.020592658,0.00071842888,0.0041600214,0.026009430,0.00012429504,0.18346740,0.0030640807] #UO MPFIT Standard Dev: 0.00015148159 #UO MPFIT Max relative dev: 0.018689241 #UO MPFIT Average relative dev: 0.0012559285 #UP MPFIT guess (Waasmaier&Kirfel) data: 1.95054100 4.14693000 1.49456000 1.52204200 5.72971100 0.15523300 0.90813900 27.04495200 0.07128000 67.52018700 1.98117300 2.10509260 4.36716206 1.48028761 1.33409382 5.53780604 0.15604602 0.89460753 24.41881968 0.07145192 69.85860169 1.90671824 #S 16 S #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.018129289,0.0059082709,0.0010073552,0.0064509345,0.017307413,0.0011516289,0.0019292067,0.017072623,0.00016616256,0.13969546,0.0048723770] #UO MPFIT Standard Dev: 0.00027924635 #UO MPFIT Max relative dev: 0.0052631049 #UO MPFIT Average relative dev: 0.00083367406 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.37215700 5.15456800 1.47373200 1.63507300 1.20937200 0.15472200 1.51434700 22.09252700 0.06137300 55.44517500 0.64692500 6.20239600 5.39538819 1.45887725 1.42806579 1.33894393 0.15420384 1.46090299 20.14653917 0.06164271 56.73801104 0.64755460 #S 17 Cl #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.0018852849,0.010003557,0.0056797423,0.0061165018,0.0075569087,0.0024679597,0.00029806521,0.00097753205,0.011012301,0.10305185,0.0056707488] #UO MPFIT Standard Dev: 0.00057267795 #UO MPFIT Max relative dev: 0.0040539022 #UO MPFIT Average relative dev: 0.0010880014 #UP MPFIT guess (Waasmaier&Kirfel) data: 1.44607100 6.87060900 6.15180100 1.75034700 0.63416800 0.14677300 0.05235700 1.19316500 18.34341600 46.39839600 0.40100500 1.42704046 6.77857375 6.41364632 1.52938606 0.68790919 0.13835865 0.05185139 1.14744676 16.83234374 47.08267330 0.39585031 #S 18 Ar #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 18 #UO MPFIT Parameter error: [0.00049294090,414.99648,414.99619,0.0057448495,0.00046819741,0.00074827446,0.00014107490,936.02403,16080.023,0.073130696,9.0232991e-05] #UO MPFIT Standard Dev: 0.0017974078 #UO MPFIT Max relative dev: 0.040334747 #UO MPFIT Average relative dev: 0.0041411804 #UP MPFIT guess (Waasmaier&Kirfel) data: 7.18800400 6.63845400 0.45418000 1.92959300 1.52365400 0.26595400 0.95622100 15.33987700 15.33986200 39.04382300 0.06240900 7.12496467 6.96362577 0.40535492 1.69961663 1.50025574 0.27745601 0.91908882 14.15475105 14.15474574 39.07709506 0.06417165 #S 19 K #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 13 #UO MPFIT Parameter error: [0.0056690686,0.00055535969,0.0049739090,0.0037159985,0.00068004979,0.0010980393,0.0056236052,0.00013441615,0.71888868,0.44824121,0.00010391532] #UO MPFIT Standard Dev: 0.0017231663 #UO MPFIT Max relative dev: 0.019433996 #UO MPFIT Average relative dev: 0.0027038505 #UP MPFIT guess (Waasmaier&Kirfel) data: 8.16399100 7.14694500 1.07014000 0.87731600 1.48643400 0.25361400 12.81632300 0.80894500 210.32701100 39.59765200 0.05282100 8.37197122 7.07989232 1.01347196 0.77223727 1.46667316 0.26287737 11.89949237 0.78056461 198.44072308 41.56210501 0.05445260 #S 20 Ca #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.0013844945,0.0013873640,0.016908022,0.017954766,0.00059258173,0.0019549328,0.0020308317,0.00012375096,0.45439825,1.1608435,0.00011872900] #UO MPFIT Standard Dev: 0.0026608339 #UO MPFIT Max relative dev: 0.0069816798 #UO MPFIT Average relative dev: 0.0022435641 #UP MPFIT guess (Waasmaier&Kirfel) data: 8.59365500 1.47732400 1.43625400 1.18283900 7.11325800 0.19625500 10.46064400 0.04189100 81.39038100 169.84783900 0.68809800 8.64392994 1.46357896 1.56066861 1.05545005 7.04009562 0.19999674 9.69070226 0.04305143 72.04776233 166.55421240 0.66621783 #S 21 Sc #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 7 #UO MPFIT Parameter error: [0.0093582039,0.0022112449,0.010685617,0.0017895813,0.00067901613,0.0029076664,0.22959180,0.00014202602,0.51188184,0.0018953193,0.00011486250] #UO MPFIT Standard Dev: 0.0023912053 #UO MPFIT Max relative dev: 0.0077254567 #UO MPFIT Average relative dev: 0.0023708257 #UP MPFIT guess (Waasmaier&Kirfel) data: 1.47656600 1.48727800 1.60018700 9.17746300 7.09975000 0.15776500 53.13102300 0.03532500 137.31948900 9.09803100 0.60210200 1.68383652 1.47480433 1.37047425 9.24659290 7.02207943 0.16099853 49.92976638 0.03653814 134.31889317 8.45519757 0.58503649 #S 22 Ti #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 6 #UO MPFIT Parameter error: [0.0022486785,0.0036478127,0.0063795538,0.0079930354,0.00078493081,0.0044964153,0.0017719689,0.00016633634,0.14236679,0.32875843,0.00011251042] #UO MPFIT Standard Dev: 0.0022506281 #UO MPFIT Max relative dev: 0.010196381 #UO MPFIT Average relative dev: 0.0024815368 #UP MPFIT guess (Waasmaier&Kirfel) data: 9.81852400 1.52264600 1.70310100 1.76877400 7.08255500 0.10247300 8.00187900 0.02976300 39.88542200 120.15799700 0.53240500 9.88746586 1.50747326 1.90635535 1.54310395 7.00376164 0.10558296 7.44889667 0.03084452 38.16657035 115.68708856 0.51848158 #S 23 V #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.0027355496,0.0061845104,0.0042890760,0.0060867218,0.00088967196,0.0071750434,0.0016360684,0.00019134413,0.091904589,0.22092524,0.00010960455] #UO MPFIT Standard Dev: 0.0019765638 #UO MPFIT Max relative dev: 0.012516249 #UO MPFIT Average relative dev: 0.0025382138 #UP MPFIT guess (Waasmaier&Kirfel) data: 10.47357500 1.54788100 1.98638100 1.86561600 7.05625000 0.06774400 7.08194000 0.02604000 31.90967200 108.02284200 0.47488200 10.51693874 1.57393530 2.16699802 1.69193955 6.98396214 0.01430187 6.58802517 0.02534021 30.05889048 101.44514004 0.46207981 #S 24 Cr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 12 #UO MPFIT Parameter error: [0.0048410448,0.0083337900,0.0033728893,0.0037106694,0.0010425284,0.0095185289,0.0019105278,0.00022421466,0.045611989,0.20439468,0.00011170816] #UO MPFIT Standard Dev: 0.0013872173 #UO MPFIT Max relative dev: 0.011212406 #UO MPFIT Average relative dev: 0.0022156790 #UP MPFIT guess (Waasmaier&Kirfel) data: 11.00706900 1.55547700 2.98529300 1.34785500 7.03477900 0.06551000 6.36628100 0.02398700 23.24483900 105.77449800 0.42936900 11.07627441 1.58619669 2.93288168 1.37491086 6.96664643 0.00459082 5.94437112 0.02328655 20.59115302 96.88722975 0.41908215 #S 25 Mn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 11 #UO MPFIT Parameter error: [0.0035460533,0.018112672,0.0028677711,0.0042084077,0.0011133166,0.019388316,0.0013516567,0.00024607625,0.044310268,0.12704230,0.00010306334] #UO MPFIT Standard Dev: 0.0013750170 #UO MPFIT Max relative dev: 0.013615838 #UO MPFIT Average relative dev: 0.0024081466 #UP MPFIT guess (Waasmaier&Kirfel) data: 11.70954200 1.73341400 2.67314100 2.02336800 7.00318000 -0.14729300 5.59712000 0.01780000 21.78842000 89.51791400 0.38305400 11.73712145 1.82995875 2.81141301 1.90065220 6.94066322 -0.28355091 5.23367741 0.01636240 20.53719746 82.01631881 0.37401385 #S 26 Fe #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 7 #UO MPFIT Parameter error: [0.0038987806,0.047321028,0.0028425615,0.0035571491,0.0012402340,0.048772558,0.0012302940,0.00028672674,0.031801692,0.099321198,0.00010309172] #UO MPFIT Standard Dev: 0.0011349041 #UO MPFIT Max relative dev: 0.013460814 #UO MPFIT Average relative dev: 0.0023328365 #UP MPFIT guess (Waasmaier&Kirfel) data: 12.31109800 1.87662300 3.06617700 2.07045100 6.97518500 -0.30493100 5.00941500 0.01446100 18.74304000 82.76787600 0.34650600 12.30434401 2.32437385 3.18807287 1.99400470 6.92612145 -0.80737786 4.69095987 0.01074597 17.39159075 74.61601310 0.33856083 #S 27 Co #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 11 #UO MPFIT Parameter error: [0.0041786333,0.29505397,0.0030480140,0.0031322153,0.0013672151,0.29667607,0.0011119486,0.00034281217,0.023886457,0.080685298,0.00010236602] #UO MPFIT Standard Dev: 0.0010502739 #UO MPFIT Max relative dev: 0.015212263 #UO MPFIT Average relative dev: 0.0022672195 #UP MPFIT guess (Waasmaier&Kirfel) data: 12.91451000 2.48190800 3.46689400 2.10635100 6.96089200 -0.93657200 4.50713800 0.00912600 16.43812900 76.98732000 0.31441800 12.87035966 4.43881362 3.58294665 2.06698965 6.91586723 -2.95253425 4.22745007 0.00461408 15.08330800 68.44820515 0.30788472 #S 28 Ni #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 5 #UO MPFIT Iterations: 500 #UO MPFIT Parameter error: [0.0046055829,0.0014844656,0.0034132392,0.0029477322,1834.2954,1834.2972,0.0010356125,0.00010142022,0.019244613,0.069071766,0.00039155993] #UO MPFIT Standard Dev: 0.00096289964 #UO MPFIT Max relative dev: 0.013740578 #UO MPFIT Average relative dev: 0.0021494403 #UP MPFIT guess (Waasmaier&Kirfel) data: 13.52186500 6.94728500 3.86602800 2.13590000 4.28473100 -2.76269700 4.07727700 0.28676300 14.62263400 71.96608000 0.00443700 13.40782101 6.90042218 3.99539727 2.14745733 283.90205482 -282.43818444 3.82465894 0.28165040 13.17017325 62.81493664 0.00006082 #S 29 Cu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 495 #UO MPFIT Parameter error: [0.0051159938,2442.9477,0.0041456821,0.0025242076,0.0017843400,2442.9498,0.00097302234,0.00046051259,0.012138756,0.090774644,0.00010523819] #UO MPFIT Standard Dev: 0.00084564836 #UO MPFIT Max relative dev: 0.0093497533 #UO MPFIT Average relative dev: 0.0016694024 #UP MPFIT guess (Waasmaier&Kirfel) data: 14.01419200 4.78457700 5.05680600 1.45797100 6.93299600 -3.25447700 3.73828000 0.00374400 13.03498200 72.55479400 0.26566600 13.75399998 297.69542224 5.21908965 1.58299921 6.87528047 -296.22007511 3.49108135 0.00005604 11.26181897 62.07734534 0.26153431 #S 30 Zn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 293 #UO MPFIT Parameter error: [0.0050053279,0.0014995018,0.0038388348,0.0026666684,6247.8532,6247.8548,0.00080364306,8.2122287e-05,0.012155632,0.052182935,0.00035468443] #UO MPFIT Standard Dev: 0.00081326353 #UO MPFIT Max relative dev: 0.0048810054 #UO MPFIT Average relative dev: 0.0016050980 #UP MPFIT guess (Waasmaier&Kirfel) data: 14.74100200 6.90774800 4.64233700 2.19176600 38.42404200 -36.91582900 3.38823200 0.24331500 11.90368900 63.31213000 0.00039700 14.43242183 6.83363443 4.86041106 2.31023153 518.74776544 -517.28462315 3.16729215 0.24008925 10.34604629 53.61746648 0.00002943 #S 31 Ga #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 5 #UO MPFIT Iterations: 500 #UO MPFIT Parameter error: [0.0030393370,0.0025715728,0.0024184178,0.0022135857,2334.6695,2334.6725,0.00056699121,0.00011433362,0.011682932,0.051000774,0.00061144831] #UO MPFIT Standard Dev: 0.0022360391 #UO MPFIT Max relative dev: 0.0040079137 #UO MPFIT Average relative dev: 0.0015943742 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.75894600 6.84112300 4.12101600 2.71468100 2.39524600 -0.84739500 3.12175400 0.22605700 12.48219600 66.20362100 0.00723800 15.57306569 6.80777698 4.48158313 2.55416620 237.18610925 -235.71998143 2.94104939 0.22275367 11.54501025 63.56972773 0.00006123 #S 32 Ge #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 490 #UO MPFIT Parameter error: [0.0022388078,3736.2026,0.0020669510,0.0027785068,0.0029039489,3736.2059,0.00043112879,0.00068075111,0.012697360,0.041582465,0.00011365456] #UO MPFIT Standard Dev: 0.0023945997 #UO MPFIT Max relative dev: 0.0046066113 #UO MPFIT Average relative dev: 0.0015503110 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.54061300 1.56790000 3.72782900 3.34509800 6.78507900 0.01872600 2.86661800 0.01219800 13.43216300 58.86604700 0.21097400 16.29213242 271.89501093 4.17901049 3.17804713 6.76929988 -270.43761631 2.69207459 0.00004947 12.10034542 55.59088173 0.20581071 #S 33 As #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 472 #UO MPFIT Parameter error: [0.0017677948,5653.0469,0.0030284753,0.0041628152,0.0025683889,5653.0498,0.00033995824,0.00060315412,0.014885736,0.037128944,9.3253086e-05] #UO MPFIT Standard Dev: 0.0019447007 #UO MPFIT Max relative dev: 0.0051505140 #UO MPFIT Average relative dev: 0.0016999594 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.02564200 4.50344100 3.71590400 3.93720000 6.79017500 -2.98411700 2.59773900 0.00301200 14.27211900 50.43799600 0.19301500 16.79861850 336.43256975 4.18039017 3.72954296 6.72535523 -334.99650264 2.44950901 0.00003586 12.83743210 47.67503824 0.18952317 #S 34 Se #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 469 #UO MPFIT Parameter error: [0.0012678972,6871.5779,0.0054154410,0.0063887534,0.0026086276,6871.5807,0.00025132062,0.00062869458,0.015997291,0.041546208,8.5083105e-05] #UO MPFIT Standard Dev: 0.0013618290 #UO MPFIT Max relative dev: 0.0077859231 #UO MPFIT Average relative dev: 0.0018514394 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.35407100 4.65324800 4.25948900 4.13645500 6.74916300 -3.16098200 2.34978700 0.00255000 15.57946000 45.18120200 0.17743200 17.16712180 336.96736021 4.71747652 3.89487231 6.68380463 -335.56546318 2.22463287 0.00003080 14.03902313 42.86632703 0.17412989 #S 35 Br #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 433 #UO MPFIT Parameter error: [0.00099168047,0.0075365695,7476.9656,0.0083047888,0.0019466337,7476.9675,0.00019562137,0.014505731,0.00048598723,0.049071295,6.5792956e-05] #UO MPFIT Standard Dev: 0.00084443321 #UO MPFIT Max relative dev: 0.013192921 #UO MPFIT Average relative dev: 0.0019809038 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.55057000 5.41188200 3.93718000 3.88064500 6.70779300 -2.49208800 2.11922600 16.55718400 0.00248100 42.16400900 0.16212100 17.40231392 5.93891344 354.54400524 3.52445295 6.64817985 -353.19765239 2.01532010 15.16569556 0.00002303 40.69766838 0.15923958 #S 36 Kr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 335 #UO MPFIT Parameter error: [0.00084160082,0.0085973445,8115.1434,0.0092602839,0.0019620132,8115.1451,0.00016417013,0.011948155,0.00061487308,0.058650212,6.2716364e-05] #UO MPFIT Standard Dev: 0.00055444398 #UO MPFIT Max relative dev: 0.017985477 #UO MPFIT Average relative dev: 0.0021824773 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.65527900 6.84810500 4.17100400 3.44676000 6.68520000 -2.81059200 1.90823100 16.60623600 0.00159800 39.91747300 0.14689600 17.53267157 7.44816522 267.89934293 2.98742575 6.61999042 -266.63403399 1.82191497 15.41761348 0.00002029 39.30642110 0.14476941 #S 37 Rb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 6 #UO MPFIT Parameter error: [0.016817624,0.015083312,0.00034862884,0.0033087715,0.00088221131,0.00023430154,0.014009222,0.27669001,1.9869090e-05,0.54140215,0.00013233727] #UO MPFIT Standard Dev: 0.00061411305 #UO MPFIT Max relative dev: 0.028868049 #UO MPFIT Average relative dev: 0.0026904575 #UP MPFIT guess (Waasmaier&Kirfel) data: 8.12313400 2.13804200 6.76170200 1.15605100 17.67954600 1.13954800 15.14238500 33.54266700 0.12937200 224.13250700 1.71336800 8.87288109 1.56926290 6.66073618 1.08275119 17.57340057 1.08665457 14.34390518 35.97531308 0.12903646 209.51615220 1.64279492 #S 38 Sr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 19 #UO MPFIT Parameter error: [0.00057473643,0.00082499005,412.70193,0.00094118462,412.70195,0.00025113555,9.8768298e-05,0.0022408503,8.0877900,0.067829786,89.747940] #UO MPFIT Standard Dev: 0.0015225274 #UO MPFIT Max relative dev: 0.016351826 #UO MPFIT Average relative dev: 0.0028342215 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.73021900 9.79586700 6.09976300 2.62002500 0.60005300 1.14025100 1.56306000 14.31086800 0.12057400 135.77131700 0.12057400 17.59670810 9.94862630 6.04462400 2.61652635 0.54472165 1.07329335 1.49577834 13.12002382 0.11972149 119.44032856 0.11972149 #S 39 Y #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 23 #UO MPFIT Parameter error: [0.00059184510,0.00090078436,674.84942,0.0010335337,674.84928,0.00029768579,9.2747474e-05,0.0020376910,12.635218,0.047445862,82.944117] #UO MPFIT Standard Dev: 0.0023140637 #UO MPFIT Max relative dev: 0.0099421414 #UO MPFIT Average relative dev: 0.0029324843 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.79204000 10.25325200 5.71494900 3.17051600 0.91825100 1.13178700 1.42969100 13.13281600 0.11217300 108.19702900 0.11217300 17.65536751 10.43931521 5.65885161 3.13610892 0.86203672 1.06017183 1.36826402 12.12449612 0.11133571 95.69676914 0.11133576 #S 40 Zr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 23 #UO MPFIT Parameter error: [0.00057976004,0.00096263414,347.16415,0.0011452004,347.16420,0.00032031995,8.6761757e-05,0.0018943733,8.4762241,0.036090419,70.820054] #UO MPFIT Standard Dev: 0.0029908948 #UO MPFIT Max relative dev: 0.011260974 #UO MPFIT Average relative dev: 0.0032386141 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.85977200 10.91103800 5.82111500 3.51251300 0.74696500 1.12485900 1.31069200 12.31928500 0.10435300 91.77754200 0.10435300 17.70896284 11.09168541 5.76424243 3.49865793 0.68990337 1.04561396 1.25477542 11.37544137 0.10372418 80.89514696 0.10372414 #S 41 Nb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 20 #UO MPFIT Parameter error: [0.00055998409,0.0011028623,870.48103,0.0013552132,870.48099,0.00035776514,7.8498131e-05,0.0017959687,15.586354,0.034373431,52.704803] #UO MPFIT Standard Dev: 0.0037651286 #UO MPFIT Max relative dev: 0.014967517 #UO MPFIT Average relative dev: 0.0037639126 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.95839900 12.06305400 5.00701500 3.28766700 1.53101900 1.12345200 1.21159000 12.24668700 0.09861500 75.01194800 0.09861500 17.82410279 12.34652807 4.93750714 3.19055176 1.46016577 1.02630932 1.15717637 11.35742646 0.09662928 69.39554321 0.09662930 #S 42 Mo #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 43 #UO MPFIT Parameter error: [78.488665,0.00053707434,0.0011670095,0.0014005683,78.488722,0.00039959982,1.1061035,7.2664967e-05,0.0015760022,0.029058746,45.092165] #UO MPFIT Standard Dev: 0.0044018388 #UO MPFIT Max relative dev: 0.021460993 #UO MPFIT Average relative dev: 0.0043012539 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.23621800 17.98771100 12.97312700 3.45142600 0.21089900 1.10877000 0.09078000 1.10831000 11.46872000 66.68415100 0.09078000 6.17787753 17.84044504 13.24473559 3.35857771 0.15154195 0.99960433 0.08963202 1.06333880 10.67451656 61.58100361 0.08963181 #S 43 Tc #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 19 #UO MPFIT Parameter error: [0.00063263590,0.0080735786,0.010507955,0.0033833658,0.00040197454,0.00045642657,7.7519785e-05,0.10672798,0.96801168,0.0023829314,2.1064281e-05] #UO MPFIT Standard Dev: 0.0041105134 #UO MPFIT Max relative dev: 0.028798389 #UO MPFIT Average relative dev: 0.0050236757 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.84096300 3.42823600 1.37301200 12.94736400 6.33546900 1.07478400 1.00572900 41.90138200 119.32054100 9.78154200 0.08339100 17.74278282 3.79497777 0.79808174 13.24774635 6.24221603 0.95794137 0.97113299 42.86390771 132.10191226 9.26979654 0.08236923 #S 44 Ru #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 15 #UO MPFIT Parameter error: [0.00041796409,0.00062190044,0.0042919247,0.0043193219,0.0062522681,0.00053370170,2.1909864e-05,7.2552764e-05,0.0023697906,0.079901417,0.82188263] #UO MPFIT Standard Dev: 0.0047262659 #UO MPFIT Max relative dev: 0.032427096 #UO MPFIT Average relative dev: 0.0051584023 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.27162400 17.90673800 14.12326900 3.74600800 0.90823500 1.04399200 0.07704000 0.92822200 9.55534500 35.86068000 123.55224600 6.18155275 17.80169136 14.63083035 3.59439161 0.64428903 0.91877951 0.07624173 0.89717697 9.12737711 36.30062507 130.83719947 #S 45 Rh #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 16 #UO MPFIT Parameter error: [0.00045445034,0.00061973512,0.0038572516,0.0055637859,0.0042979471,0.00062891794,2.2781987e-05,7.0885944e-05,0.069337904,0.76244352,0.0020900921] #UO MPFIT Standard Dev: 0.0053741077 #UO MPFIT Max relative dev: 0.036671822 #UO MPFIT Average relative dev: 0.0053762778 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.21664800 17.91973900 3.85425200 0.84032600 15.17349800 0.99545200 0.07078900 0.85612100 33.88948400 121.68669100 9.02951700 6.12780040 17.79870560 3.70551025 0.61262679 15.64710027 0.86745289 0.07028489 0.82885382 33.92215621 126.42588650 8.60698534 #S 46 Pd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 22 #UO MPFIT Parameter error: [0.00048311070,1847.7157,0.0021578930,0.0024506343,1847.7157,0.00075782476,2.3980665e-05,313.07749,0.0012302162,0.018613968,111.61910] #UO MPFIT Standard Dev: 0.0062906988 #UO MPFIT Max relative dev: 0.039695203 #UO MPFIT Average relative dev: 0.0055077747 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.12151100 4.78406300 16.63168300 4.31825800 13.24677300 0.88309900 0.06254900 0.78403100 8.75139100 34.48998300 0.78403100 6.09085570 4.68870690 17.15641530 3.84300712 13.15123080 0.80254284 0.06457257 0.76863619 8.38997512 34.11521928 0.76863617 #S 47 Ag #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 16 #UO MPFIT Parameter error: [0.00055710517,0.0041107235,0.0031948498,0.0045373083,0.00063924406,0.00094912458,2.5692864e-05,0.0015663355,0.054255449,0.69807510,6.3014160e-05] #UO MPFIT Standard Dev: 0.0068075603 #UO MPFIT Max relative dev: 0.042853159 #UO MPFIT Average relative dev: 0.0057082993 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.07387400 17.15543700 4.17334400 0.85223800 17.98868600 0.75660300 0.05533300 7.89651200 28.44373900 110.37610600 0.71680900 6.05724103 17.76734177 3.85910747 0.54976811 17.79132902 0.70865971 0.05857511 7.66424959 30.20483695 121.19639558 0.70979037 #S 48 Cd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 16 #UO MPFIT Parameter error: [0.00067778344,0.0032935079,0.0046286098,0.0064768404,0.00065563216,0.0011784761,2.7015692e-05,0.0012285515,0.053342718,0.58528945,5.8936788e-05] #UO MPFIT Standard Dev: 0.0075993214 #UO MPFIT Max relative dev: 0.044059011 #UO MPFIT Average relative dev: 0.0058895012 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.08098600 18.01946800 4.01819700 1.30351000 17.97466900 0.60350400 0.04899000 7.27364600 29.11928400 95.83120700 0.66123100 6.04036427 18.38160827 4.20316493 0.75471621 17.74206099 0.59841397 0.05297111 7.01093020 30.72014689 106.80764634 0.65631719 #S 49 In #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.00094087879,0.0023218448,0.0030322109,0.0041312441,0.00068018005,0.0015550363,2.9183951e-05,0.00091048006,0.037961567,0.39009116,5.6177352e-05] #UO MPFIT Standard Dev: 0.0082114365 #UO MPFIT Max relative dev: 0.046298465 #UO MPFIT Average relative dev: 0.0059461895 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.19647700 18.81618300 4.05047900 1.63892900 17.96291200 0.33309700 0.04207200 6.69566500 31.00979000 103.28434800 0.61071400 6.06154651 19.00060821 4.45915941 1.04270193 17.69494384 0.44547768 0.04732772 6.43011640 31.38897338 129.84310238 0.60802939 #S 50 Sn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 11 #UO MPFIT Parameter error: [0.0019157671,0.0013760102,0.0049411708,0.0062301236,0.00071511392,0.0021045453,0.00074262350,3.1539031e-05,0.039363960,0.39521473,5.4045026e-05] #UO MPFIT Standard Dev: 0.0087164056 #UO MPFIT Max relative dev: 0.047426733 #UO MPFIT Average relative dev: 0.0060737132 #UP MPFIT guess (Waasmaier&Kirfel) data: 19.32517100 6.28157100 4.49886600 1.85693400 17.91731800 0.11902400 6.11810400 0.03691500 32.52904500 95.03718600 0.56565100 19.44406366 6.14105459 5.04240100 1.19460095 17.63952092 0.22942056 5.87081521 0.04153040 32.37864163 114.94916342 0.56396218 #S 51 Sb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 15 #UO MPFIT Parameter error: [0.0060823802,0.0020535991,0.0016665287,0.0073434347,0.00076644863,0.0028856472,0.034419910,3.4391450e-05,0.00062964427,0.38323676,5.2965420e-05] #UO MPFIT Standard Dev: 0.0089623891 #UO MPFIT Max relative dev: 0.045746082 #UO MPFIT Average relative dev: 0.0061040175 #UP MPFIT guess (Waasmaier&Kirfel) data: 5.39495600 6.54957000 19.65068100 1.82782000 17.86783200 -0.29050600 33.32652300 0.03097400 5.56492900 87.13096600 0.52399200 6.01179028 6.25268840 19.69743565 1.16859113 17.56401079 -0.01748380 32.17182048 0.03634623 5.33340196 103.27699871 0.52334570 #S 52 Te #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 15 #UO MPFIT Parameter error: [0.0060581026,0.0035700026,0.0014278557,0.0071555079,0.00081024973,0.0044893978,0.026118584,3.7585904e-05,0.00053813772,0.45473495,5.0600783e-05] #UO MPFIT Standard Dev: 0.0099546593 #UO MPFIT Max relative dev: 0.046777697 #UO MPFIT Average relative dev: 0.0062764630 #UP MPFIT guess (Waasmaier&Kirfel) data: 6.66030200 6.94075600 19.84701500 1.55717500 17.80242700 -0.80666800 33.03165400 0.02575000 5.06554700 84.10161600 0.48766000 7.27011998 6.55126218 19.86580814 0.95229359 17.52010619 -0.49670130 31.27680875 0.02990172 4.84670590 100.88905997 0.48406725 #S 53 I #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 22 #UO MPFIT Parameter error: [0.0013050795,0.0066443931,0.0052161572,0.0062026875,0.00086589165,0.0076589593,0.00048123888,4.2038356e-05,0.018851050,0.45300465,4.9660244e-05] #UO MPFIT Standard Dev: 0.010360130 #UO MPFIT Max relative dev: 0.045722042 #UO MPFIT Average relative dev: 0.0062705195 #UP MPFIT guess (Waasmaier&Kirfel) data: 19.88450200 6.73659300 8.11051600 1.17095300 17.54871600 -0.44881100 4.62859100 0.02775400 31.84909600 84.40638700 0.46355000 19.93807829 7.09598483 8.55254548 0.81322939 17.46003963 -1.21189020 4.40199492 0.02378768 29.37558678 96.37033204 0.44869824 #S 54 Xe #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 28 #UO MPFIT Parameter error: [0.0011998274,0.014838170,0.0042957700,0.0051992627,0.00091001800,0.015934711,0.00042804131,4.6743247e-05,0.013598665,0.51062070,4.7597883e-05] #UO MPFIT Standard Dev: 0.010643444 #UO MPFIT Max relative dev: 0.046243073 #UO MPFIT Average relative dev: 0.0064081527 #UP MPFIT guess (Waasmaier&Kirfel) data: 19.97892000 11.77494500 9.33218200 1.24474900 17.73750100 -6.06590200 4.14335600 0.01014200 28.79620000 75.28068500 0.41361600 19.95850428 8.36420076 9.90402346 0.65245953 17.40931309 -2.65593783 4.00466253 0.01705338 27.35376466 96.62465241 0.41685323 #S 55 Cs #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 18 #UO MPFIT Parameter error: [0.00094370661,0.052856364,0.0011390597,0.0010073645,0.00099883620,0.054018142,4.5845579e-05,5.3123971e-05,0.0050613546,0.25866986,0.00036148222] #UO MPFIT Standard Dev: 0.011157152 #UO MPFIT Max relative dev: 0.047645726 #UO MPFIT Average relative dev: 0.0064879328 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.41867400 8.31444400 10.32319300 1.38383400 19.87625100 -2.32280200 0.39982800 0.01687200 25.60582700 233.33967600 3.82691500 17.37569453 12.13586009 10.55273124 1.29778936 19.87680486 -6.62800954 0.38664179 0.00966981 23.44864968 220.56960899 3.64363491 #S 56 Ba #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 88 #UO MPFIT Parameter error: [0.0012474689,0.00099152708,0.0016265854,0.0020734218,1.6529394,1.6541921,0.00038027321,4.5921231e-05,0.0061577112,0.15299820,6.1871487e-05] #UO MPFIT Standard Dev: 0.011669230 #UO MPFIT Max relative dev: 0.047395815 #UO MPFIT Average relative dev: 0.0065989497 #UP MPFIT guess (Waasmaier&Kirfel) data: 19.74734300 17.36847700 10.46571800 2.59260200 11.00365300 -5.18349700 3.48182300 0.37122400 21.22664100 173.83427400 0.01071900 19.82277247 17.37211521 10.64912854 2.42340529 51.54683902 -46.21974320 3.34809910 0.36080812 20.04789088 161.05858343 0.00185019 #S 57 La #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 498 #UO MPFIT Parameter error: [0.0011488830,4654.5327,0.0013046278,0.0015381899,0.00095346561,4654.5339,0.00034520933,5.9091212e-05,0.0048607502,0.074104950,4.3169346e-05] #UO MPFIT Standard Dev: 0.011672266 #UO MPFIT Max relative dev: 0.037993257 #UO MPFIT Average relative dev: 0.0062712738 #UP MPFIT guess (Waasmaier&Kirfel) data: 19.96601900 27.32965500 11.01842500 3.08669600 17.33545500 -21.74548900 3.19740800 0.00344600 19.95549200 141.38197300 0.34181700 19.96684466 2616.77020357 11.08605976 2.97061929 17.30250838 -2611.52103692 3.11105960 0.00003320 18.89301922 126.40106401 0.33961309 #S 58 Ce #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 5 #UO MPFIT Iterations: 500 #UO MPFIT Parameter error: [0.00069767544,6729.9927,0.0011959078,0.0017052663,0.0015087740,6729.9932,3.0024820e-05,2.9871378e-05,0.00030142831,0.12478975,0.0043583242] #UO MPFIT Standard Dev: 0.010214626 #UO MPFIT Max relative dev: 0.024078095 #UO MPFIT Average relative dev: 0.0056606124 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.35512200 43.98849900 20.54665000 3.13067000 11.35366500 -38.38601700 0.32836900 0.00204700 3.08819600 134.90765400 18.83296000 17.29595781 4345.36340933 20.94755728 2.49690482 11.57180940 -4340.11668462 0.32551631 0.00001928 3.04729063 146.75357391 17.76655273 #S 59 Pr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 494 #UO MPFIT Parameter error: [0.0012048129,0.00076379580,0.0013948344,0.0014466709,8161.9212,8161.9218,0.00027991618,2.7783404e-05,0.0037487958,0.10298057,3.0317594e-05] #UO MPFIT Standard Dev: 0.0095337691 #UO MPFIT Max relative dev: 0.022598105 #UO MPFIT Average relative dev: 0.0053119653 #UP MPFIT guess (Waasmaier&Kirfel) data: 21.55131100 17.16173000 11.90385900 2.67910300 9.56419700 -3.87106800 2.99567500 0.31249100 17.71670500 152.19282500 0.01046800 21.56386679 17.23892858 11.96705606 2.55058606 4645.78355064 -4640.56446888 2.91250166 0.30985101 16.75073376 139.14334527 0.00001725 #S 60 Nd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 403 #UO MPFIT Parameter error: [0.00064456543,8560.0069,0.0013905654,0.0014194488,0.0012151001,8560.0075,2.8874243e-05,2.3798887e-05,0.0034685079,0.095129794,0.00027014396] #UO MPFIT Standard Dev: 0.0094702023 #UO MPFIT Max relative dev: 0.022294041 #UO MPFIT Average relative dev: 0.0051382305 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.33124400 62.78392400 12.16009700 2.66348300 22.23995000 -57.18984200 0.30026900 0.00132000 17.02600100 148.74899300 2.91026800 17.18849734 5256.12632558 12.33127623 2.58243269 22.21683582 -5250.92543157 0.29580553 0.00001461 15.88877581 133.41685838 2.79253798 #S 61 Pm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 424 #UO MPFIT Parameter error: [0.00068581210,8459.7854,0.0013427101,0.0012548276,0.0012233655,8459.7858,2.6992669e-05,2.0671102e-05,0.0030551397,0.083087160,0.00024616617] #UO MPFIT Standard Dev: 0.0089588176 #UO MPFIT Max relative dev: 0.022785705 #UO MPFIT Average relative dev: 0.0050350807 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.28638800 51.56016200 12.47855700 2.67551500 22.96094700 -45.97368200 0.28662000 0.00155000 16.22375500 143.98451200 2.79648000 17.14790054 5467.09133967 12.67590249 2.61445255 22.89314617 -5461.92264966 0.28225651 0.00001335 15.09888908 128.17517281 2.67966474 #S 62 Sm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 375 #UO MPFIT Parameter error: [0.0012102974,6976.6319,0.0013254378,0.0012380758,0.00067588876,6976.6325,0.00022928409,2.5847595e-05,0.0028154463,0.077787359,2.7007792e-05] #UO MPFIT Standard Dev: 0.0087609111 #UO MPFIT Max relative dev: 0.021885380 #UO MPFIT Average relative dev: 0.0051856985 #UP MPFIT guess (Waasmaier&Kirfel) data: 23.70036300 23.07221400 12.77778200 2.68421700 17.20436700 -17.45216600 2.68953900 0.00349100 15.49543700 139.86247300 0.27453600 23.57776892 4336.95334631 13.01186004 2.65112019 17.09246464 -4331.80653530 2.57205344 0.00001606 14.35914195 123.21157749 0.26967441 #S 63 Eu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 391 #UO MPFIT Parameter error: [0.00067947549,8859.8987,0.0013765282,0.0012442993,0.0012257625,8859.8991,2.6510673e-05,2.2427996e-05,0.0026108407,0.077932066,0.00021646184] #UO MPFIT Standard Dev: 0.0080492313 #UO MPFIT Max relative dev: 0.021034532 #UO MPFIT Average relative dev: 0.0050602831 #UP MPFIT guess (Waasmaier&Kirfel) data: 17.18619500 37.15683700 13.10338700 2.70724600 24.41927100 -31.58668700 0.26167800 0.00199500 14.78736000 134.81629900 2.58188300 17.07135563 5126.49069186 13.33466886 2.65426567 24.27237487 -5121.36316596 0.25889588 0.00001297 13.73081795 120.24251547 2.47764087 #S 64 Gd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 349 #UO MPFIT Parameter error: [0.0013499943,0.00073088677,0.0014946731,0.0018130829,8632.1449,8632.1453,0.00021115934,2.6778845e-05,0.0030156488,0.056664859,2.6208580e-05] #UO MPFIT Standard Dev: 0.0081837986 #UO MPFIT Max relative dev: 0.022084618 #UO MPFIT Average relative dev: 0.0051141192 #UP MPFIT guess (Waasmaier&Kirfel) data: 24.89811700 17.10495200 13.22258100 3.26615200 48.99521300 -43.50568400 2.43502800 0.24696100 13.99632500 110.86309100 0.00138300 24.64625088 16.99747848 13.36466048 3.34514581 4543.57338365 -4538.49039355 2.34262325 0.24679775 12.90194424 95.39774603 0.00001379 #S 65 Tb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 335 #UO MPFIT Parameter error: [0.0012578852,7198.3938,0.0013648153,0.0011543020,0.00072809951,7198.3943,0.00019117223,2.4456918e-05,0.0022622947,0.066151394,2.6688123e-05] #UO MPFIT Standard Dev: 0.0068101442 #UO MPFIT Max relative dev: 0.024678677 #UO MPFIT Average relative dev: 0.0046969070 #UP MPFIT guess (Waasmaier&Kirfel) data: 25.91001300 32.34413900 13.76511700 2.75140400 17.06440500 -26.85197100 2.37391200 0.00203400 13.48196900 125.83651000 0.23691600 25.66612063 4192.75632504 13.95736847 2.72815093 17.00044486 -4187.69180909 2.29102865 0.00001424 12.50615875 111.05763849 0.23787894 #S 66 Dy #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 292 #UO MPFIT Parameter error: [0.0012727428,8050.6417,0.0013755975,0.0011577383,0.00069924826,8050.6421,0.00017911884,2.3065995e-05,0.0021290949,0.063054136,2.6049128e-05] #UO MPFIT Standard Dev: 0.0065006199 #UO MPFIT Max relative dev: 0.030379471 #UO MPFIT Average relative dev: 0.0046367010 #UP MPFIT guess (Waasmaier&Kirfel) data: 26.67178500 88.68757600 14.06544500 2.76849700 17.06778100 -83.27983100 2.28259300 0.00066500 12.92023000 121.93718700 0.22553100 26.38323252 4398.24494424 14.26736529 2.76532287 16.97289395 -4393.23947589 2.20308248 0.00001260 11.95434176 106.89618428 0.22734974 #S 67 Ho #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 330 #UO MPFIT Parameter error: [0.0012796200,0.00085994535,0.0013707434,0.0010845845,10284.449,10284.449,0.00016838488,2.7198849e-05,0.0019526207,0.057267933,3.8844211e-05] #UO MPFIT Standard Dev: 0.0060248075 #UO MPFIT Max relative dev: 0.032246787 #UO MPFIT Average relative dev: 0.0044235905 #UP MPFIT guess (Waasmaier&Kirfel) data: 27.15019000 16.99981900 14.05933400 3.38697900 46.54647100 -41.16525300 2.16966000 0.21541400 12.21314800 100.50678300 0.00121100 27.09405383 16.93749917 14.58634079 2.80145206 3698.14032223 -3693.18846082 2.11867358 0.21749694 11.43043354 102.92181598 0.00001396 #S 68 Er #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 309 #UO MPFIT Parameter error: [0.0012873944,8307.0304,0.0013754021,0.0010729220,0.00074846752,8307.0308,0.00015766817,2.4221871e-05,0.0018271472,0.054670665,2.5045355e-05] #UO MPFIT Standard Dev: 0.0056550368 #UO MPFIT Max relative dev: 0.032143151 #UO MPFIT Average relative dev: 0.0044412749 #UP MPFIT guess (Waasmaier&Kirfel) data: 28.17488700 82.49327100 14.62400200 2.80275600 17.01851500 -77.13522300 2.12099500 0.00064000 11.91525600 114.52993800 0.20751900 27.81053249 4104.64353871 14.88325935 2.83483528 16.89331430 -4099.71721767 2.04181579 0.00001196 10.95422544 99.42542607 0.20889623 #S 69 Tm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 226 #UO MPFIT Parameter error: [0.0012925141,9736.1316,0.0014000182,0.0010878917,0.0011562959,9736.1326,0.00015287978,6.8348800e-05,0.0017560786,0.053828475,2.9494448e-05] #UO MPFIT Standard Dev: 0.0050643365 #UO MPFIT Max relative dev: 0.042142252 #UO MPFIT Average relative dev: 0.0040479124 #UP MPFIT guess (Waasmaier&Kirfel) data: 28.92589400 76.17379800 14.90470400 2.81481200 16.99811700 -70.83981300 2.04620300 0.00065600 11.46537500 111.41198000 0.19937600 28.52850085 2445.57145486 15.22240776 2.86116529 16.92020688 -2440.77861007 1.96383816 0.00001716 10.48926663 96.46598501 0.19884908 #S 70 Yb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 216 #UO MPFIT Parameter error: [0.0012916368,9026.2383,0.0013723065,0.0010231186,0.0011551208,9026.2393,0.00014317068,7.1794746e-05,0.0016091568,0.047040918,2.8560253e-05] #UO MPFIT Standard Dev: 0.0047427463 #UO MPFIT Max relative dev: 0.043572115 #UO MPFIT Average relative dev: 0.0039297307 #UP MPFIT guess (Waasmaier&Kirfel) data: 29.67676000 65.62406900 15.16085400 2.83028800 16.99785000 -60.31381200 1.97763000 0.00072000 11.04462200 108.13915300 0.19211000 29.24441972 2212.27369164 15.49510957 2.92480251 16.89099012 -2207.52991878 1.89336193 0.00001759 10.05627636 91.69307079 0.19084871 #S 71 Lu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 217 #UO MPFIT Parameter error: [0.0013775821,0.0014883124,7494.7993,0.0013976790,0.0011414998,7494.8002,0.00013741909,0.0017082903,6.0709482e-05,0.039461295,2.7515354e-05] #UO MPFIT Standard Dev: 0.0047556859 #UO MPFIT Max relative dev: 0.042904174 #UO MPFIT Average relative dev: 0.0040086084 #UP MPFIT guess (Waasmaier&Kirfel) data: 30.12286600 15.09934600 56.31489900 3.54098000 16.94372900 -51.04941600 1.88309000 10.34276400 0.00078000 89.55925000 0.18384900 29.69788948 15.47177518 2097.86718749 3.60694158 16.82362572 -2093.19263162 1.80307602 9.47929223 0.00001698 77.64749351 0.18222067 #S 72 Hf #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 236 #UO MPFIT Parameter error: [0.0014602775,0.0014723407,8261.7812,0.0015785930,0.0010026263,8261.7816,0.00013658412,0.0017706452,4.9470361e-05,0.026148996,2.7296172e-05] #UO MPFIT Standard Dev: 0.0044951366 #UO MPFIT Max relative dev: 0.043877119 #UO MPFIT Average relative dev: 0.0039334873 #UP MPFIT guess (Waasmaier&Kirfel) data: 30.61703300 15.14535100 54.93354800 4.09625300 16.89615600 -49.71983700 1.79561300 9.93446900 0.00073900 76.18970500 0.17591400 30.11062139 15.40407022 2274.03155954 4.38097094 16.78436412 -2269.46340922 1.71565360 8.96253008 0.00001361 63.95107044 0.17352112 #S 73 Ta #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 177 #UO MPFIT Parameter error: [0.0014088332,0.0014569331,10139.788,0.0015689114,0.0017104001,10139.790,0.00013025701,0.0016829524,0.00014607875,0.020364068,3.1473094e-05] #UO MPFIT Standard Dev: 0.0043265347 #UO MPFIT Max relative dev: 0.043211827 #UO MPFIT Average relative dev: 0.0038722409 #UP MPFIT guess (Waasmaier&Kirfel) data: 31.06635900 15.34182300 49.27829700 4.57766500 16.82832100 -44.11902600 1.70873200 9.61845500 0.00076000 66.34619900 0.16800200 30.57052118 15.57376402 1353.88450796 4.87958160 16.74532612 -1349.42935153 1.63430749 8.68104102 0.00001949 56.83069217 0.16513675 #S 74 W #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 49 #UO MPFIT Parameter error: [0.0013839043,0.0014523387,8042.8741,0.0017012628,0.0015997995,8042.8755,0.00012098637,0.0016479740,0.00012941287,0.017445000,3.0806963e-05] #UO MPFIT Standard Dev: 0.0039791021 #UO MPFIT Max relative dev: 0.041040607 #UO MPFIT Average relative dev: 0.0037079665 #UP MPFIT guess (Waasmaier&Kirfel) data: 31.50790000 15.68249800 37.96012900 4.88550900 16.79211200 -32.86457400 1.62948500 9.44644800 0.00089800 59.98067500 0.16079800 30.98784842 15.84365824 1085.37020439 5.34491722 16.75914099 -1081.10872457 1.55377182 8.43294944 0.00001745 50.66121806 0.15616127 #S 75 Re #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 163 #UO MPFIT Parameter error: [0.0013194050,0.0014668102,7765.9745,0.0018542480,0.0014131613,7765.9755,0.00011111005,0.0016054540,0.00010915141,0.015225467,2.8102747e-05] #UO MPFIT Standard Dev: 0.0041221442 #UO MPFIT Max relative dev: 0.036958004 #UO MPFIT Average relative dev: 0.0037828448 #UP MPFIT guess (Waasmaier&Kirfel) data: 31.88845600 16.11710400 42.39029700 5.21166900 16.76759100 -37.41268200 1.54923800 9.23347400 0.00068900 54.51637300 0.15281500 31.36764074 16.20662904 1140.89802522 5.70714498 16.65069139 -1136.66620413 1.48081504 8.26474305 0.00001603 45.63908603 0.14966164 #S 76 Os #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 34 #UO MPFIT Parameter error: [0.0012532163,0.0015132397,8459.2258,0.0019314456,0.0019288693,8459.2271,0.00010334617,0.0015085378,0.00035974851,0.013985543,3.0042773e-05] #UO MPFIT Standard Dev: 0.0039031286 #UO MPFIT Max relative dev: 0.037610976 #UO MPFIT Average relative dev: 0.0036174920 #UP MPFIT guess (Waasmaier&Kirfel) data: 32.21029700 16.67844000 48.55990600 5.45583900 16.73553300 -43.67795600 1.47353100 9.04969500 0.00051900 50.21020100 0.14577100 31.75193454 16.78095382 410.94969397 5.94974979 16.75723964 -407.05071307 1.40570152 8.12076847 0.00001747 42.41784435 0.13977093 #S 77 Ir #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.0018295025,0.011416719,0.00056293400,0.0071309659,0.0070063132,0.00028613620,0.00010052472,0.33814579,1.0295174e-05,0.0031822663,0.055028130] #UO MPFIT Standard Dev: 0.0027653866 #UO MPFIT Max relative dev: 0.035971951 #UO MPFIT Average relative dev: 0.0035639860 #UP MPFIT guess (Waasmaier&Kirfel) data: 32.00443600 1.97545400 17.07010500 15.93945400 5.99000300 4.01889300 1.35376700 81.01417500 0.12809300 7.66119600 26.65940300 31.76739790 1.41742145 16.74659192 16.21969187 6.34032022 3.65295339 1.32218506 81.15672344 0.13119994 7.35439190 26.57488749 #S 78 Pt #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 26 #UO MPFIT Parameter error: [322.22081,0.0016793187,0.00051501287,0.0022353238,322.22081,0.00029061062,16.593777,0.0013484901,9.7997885e-06,0.011927935,392.61733] #UO MPFIT Standard Dev: 0.0036155619 #UO MPFIT Max relative dev: 0.031191049 #UO MPFIT Average relative dev: 0.0035208558 #UP MPFIT guess (Waasmaier&Kirfel) data: 31.27389100 18.44544000 17.06374500 5.55593300 1.57527000 4.05039400 1.31699200 8.79715400 0.12474100 40.17799400 1.31699700 30.98992203 18.15501717 16.67920729 6.30866056 1.30977395 3.63949590 1.27222945 7.83558995 0.12654931 36.86734925 1.27222941 #S 79 Au #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 159 #UO MPFIT Parameter error: [0.0037956417,0.0021591573,0.0010789013,0.0028654302,4813.4873,4813.4905,3.5040068e-05,0.0014207821,8.2562148e-05,0.012788179,0.00034472234] #UO MPFIT Standard Dev: 0.0033099770 #UO MPFIT Max relative dev: 0.037221067 #UO MPFIT Average relative dev: 0.0034307499 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.77739000 19.31715600 32.97968300 5.59545300 10.57685400 -6.27907800 0.12273700 8.62157000 1.25690200 38.00882000 0.00060100 16.88254232 19.37581635 32.62146048 6.01941144 432.23434409 -429.07568590 0.11690541 7.87648778 1.20474478 32.97062267 -0.00003099 #S 80 Hg #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 20 #UO MPFIT Parameter error: [0.00052966205,0.0019072080,1695.7930,0.0025182657,1695.7931,0.00031816206,9.8209664e-06,0.0012345785,71.842485,0.011167523,406.67764] #UO MPFIT Standard Dev: 0.0037509673 #UO MPFIT Max relative dev: 0.014910259 #UO MPFIT Average relative dev: 0.0033649454 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.83989000 20.02382300 28.42856400 5.88156400 4.71470600 4.07647800 0.11590500 8.25692700 1.19525000 39.24722700 1.19525000 16.43979396 19.91863890 27.76463255 6.41022928 4.90481781 3.58984976 0.11673200 7.55331808 1.15426441 33.30365931 1.15426437 #S 81 Tl #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.00057108057,0.0052625555,0.0013123518,0.0037353799,0.0044245677,0.00032973486,9.9590939e-06,0.0019154795,7.2047854e-05,0.28890663,0.027930821] #UO MPFIT Standard Dev: 0.0031696608 #UO MPFIT Max relative dev: 0.013599401 #UO MPFIT Average relative dev: 0.0033798231 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.63079500 19.38661600 32.80857100 1.74719100 6.35686200 4.06693900 0.11070400 7.18140100 1.11973000 90.66026300 26.01497800 16.27949672 19.61124539 32.52808287 1.21893192 6.82864702 3.56321128 0.11193237 6.83979837 1.09072759 118.61695437 25.09178834 #S 82 Pb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 7 #UO MPFIT Parameter error: [0.00057784482,0.0012673567,0.0038656579,0.0052808794,0.0044969105,0.00034394808,9.8750632e-06,6.8489529e-05,0.031035917,0.23511264,0.0016245384] #UO MPFIT Standard Dev: 0.0035326256 #UO MPFIT Max relative dev: 0.014043183 #UO MPFIT Average relative dev: 0.0036439267 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.41956700 32.73859000 6.53024700 2.34274200 19.91647500 4.04982400 0.10549900 1.05504900 25.02589000 80.90659300 6.66444900 16.15573594 32.56471040 6.74799686 1.62318006 20.37867502 3.53108830 0.10731472 1.03828673 25.84002437 104.03280242 6.51727715 #S 83 Bi #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 7 #UO MPFIT Parameter error: [0.00059626447,0.0012602318,0.0050649722,0.0074426085,0.0037447125,0.00037227660,1.0116393e-05,6.7487076e-05,0.032693316,0.22994226,0.0013910790] #UO MPFIT Standard Dev: 0.0039400110 #UO MPFIT Max relative dev: 0.014754438 #UO MPFIT Average relative dev: 0.0039117386 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.28227400 32.72513600 6.67830200 2.69475000 20.57655900 4.04091400 0.10118000 1.00228700 25.71414600 77.05754900 6.29188200 16.05513439 32.57219633 7.10079270 1.82264739 20.92330655 3.49908832 0.10310727 0.99041508 26.79675111 92.39516651 6.16859916 #S 84 Po #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.00061700738,0.0012732789,0.0032811513,0.0096683660,0.0070244691,0.00040808566,1.0397662e-05,6.6927021e-05,0.0012262352,0.24064279,0.032573321] #UO MPFIT Standard Dev: 0.0041896633 #UO MPFIT Max relative dev: 0.017282810 #UO MPFIT Average relative dev: 0.0040606113 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.28916400 32.80717100 21.09516300 2.50590100 7.25458900 4.04655600 0.09812100 0.96626500 6.04662200 76.59806800 28.09612800 15.92966393 32.53463621 21.26597071 1.85348130 7.90481807 3.45521535 0.09871917 0.94233879 5.77485734 84.25758041 27.14259799 #S 85 At #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.00063852222,0.0012904059,0.0080169963,0.010501270,0.0028392172,0.00041918893,1.0406431e-05,6.5792669e-05,0.028259414,0.25355778,0.0010822999] #UO MPFIT Standard Dev: 0.0043559396 #UO MPFIT Max relative dev: 0.018629143 #UO MPFIT Average relative dev: 0.0042486875 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.01146100 32.61554700 8.11389900 2.88408200 21.37786700 3.99568400 0.09263900 0.90441600 26.54325700 68.37296300 5.49951200 15.82334418 32.46748196 9.01250570 1.72434540 21.46356994 3.42272786 0.09486320 0.89843768 27.00385753 79.63992570 5.39445822 #S 86 Rn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 13 #UO MPFIT Parameter error: [0.00066450088,0.0013392946,0.0025211574,0.010536193,0.0082362048,0.00045936601,1.0812357e-05,6.5818035e-05,0.00097408888,0.27121511,0.023329840] #UO MPFIT Standard Dev: 0.0045279222 #UO MPFIT Max relative dev: 0.021452608 #UO MPFIT Average relative dev: 0.0042605840 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.07022900 32.64110600 21.48965800 2.29921800 9.48018400 4.02097700 0.09043700 0.87640900 5.23968700 69.18847700 27.63264100 15.71714768 32.36554794 21.55254018 1.54577949 10.31957180 3.38282129 0.09111052 0.85619893 5.01523482 76.65511543 26.25222808 #S 87 Fr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 8 #UO MPFIT Parameter error: [0.00068096421,0.0013364590,0.0017610386,0.0014259003,0.0019817542,0.00050612331,1.1269463e-05,6.4258117e-05,0.00078398403,0.22296096,0.0075227794] #UO MPFIT Standard Dev: 0.0046517501 #UO MPFIT Max relative dev: 0.023722606 #UO MPFIT Average relative dev: 0.0041847782 #UP MPFIT guess (Waasmaier&Kirfel) data: 16.00738500 32.66383000 21.59435100 1.59849700 11.12119200 4.00347200 0.08703100 0.84018700 4.95446700 199.80580100 26.90510600 15.61356578 32.29005100 21.58808798 1.52079712 11.49239752 3.33918799 0.08744016 0.81690795 4.68491604 187.13075688 24.42129865 #S 88 Ra #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.0014304381,0.0020841826,0.0024068549,0.0021728803,0.00070626487,0.00052389719,6.4892922e-05,0.00081616501,0.0077935657,0.13133472,1.1164245e-05] #UO MPFIT Standard Dev: 0.0049756391 #UO MPFIT Max relative dev: 0.025762553 #UO MPFIT Average relative dev: 0.0044674636 #UP MPFIT guess (Waasmaier&Kirfel) data: 32.56369000 21.39667100 11.29809300 2.83468800 15.91496500 3.98177300 0.80198000 4.59066600 22.75897200 160.40438800 0.08354400 32.26137613 21.47411433 11.54875240 2.70070705 15.53353668 3.29342205 0.78242755 4.39338862 21.26815521 145.78453108 0.08389021 #S 89 Ac #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.00074103134,0.0015059680,0.0022582312,0.0023822597,0.0026888480,0.00057660257,1.1570128e-05,6.5769934e-05,0.00081033340,0.0083954561,0.076378965] #UO MPFIT Standard Dev: 0.0048690617 #UO MPFIT Max relative dev: 0.027412028 #UO MPFIT Average relative dev: 0.0043777774 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.91405300 32.53504200 21.55397600 11.43339400 3.61240900 3.93921200 0.08051100 0.77066900 4.35220600 21.38162200 130.50074800 15.44129352 32.19461688 21.67018557 11.62375491 3.60839956 3.23867141 0.08037991 0.74781467 4.14033299 19.84028498 113.68244239 #S 90 Th #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 11 #UO MPFIT Parameter error: [0.00075129834,0.0015081693,0.0021345094,0.0027256099,0.0022821825,0.00064450377,1.2101141e-05,6.4639235e-05,0.00074217605,0.053985271,0.0077786592] #UO MPFIT Standard Dev: 0.0046102313 #UO MPFIT Max relative dev: 0.028140003 #UO MPFIT Average relative dev: 0.0042215808 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.78402400 32.45489900 21.84922200 4.23907700 11.73619100 3.92253300 0.07706700 0.73513700 4.09797600 109.46411100 20.51213800 15.35041360 32.15264867 21.98489988 4.20304734 11.87984118 3.17150887 0.07685215 0.71518502 3.92354148 96.69516744 19.25785705 #S 91 Pa #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.0014651206,0.0024072513,0.0024664196,0.0025877164,0.00074197054,0.00070282012,6.1430873e-05,0.00076010572,0.0066329524,0.064895783,1.2385822e-05] #UO MPFIT Standard Dev: 0.0043223072 #UO MPFIT Max relative dev: 0.029540415 #UO MPFIT Average relative dev: 0.0041096139 #UP MPFIT guess (Waasmaier&Kirfel) data: 32.74020800 21.97367500 12.95739800 3.68383200 15.74405800 3.88606600 0.70954500 4.05088100 19.23154300 117.25500500 0.07404000 32.41734383 22.05085313 13.10871855 3.72910194 15.28123528 3.11865061 0.68922416 3.86872813 17.74443730 101.90118122 0.07385957 #S 92 U #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.00073370118,0.0014358285,0.0025382882,0.0025778516,0.0025082326,0.00078592827,1.2831474e-05,5.8985482e-05,0.0060238837,0.061524571,0.00073266588] #UO MPFIT Standard Dev: 0.0040298377 #UO MPFIT Max relative dev: 0.030455456 #UO MPFIT Average relative dev: 0.0039322888 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.67927500 32.82430600 13.66045900 3.68726100 22.27943400 3.85444400 0.07120600 0.68117700 18.23615600 112.50003800 3.93032500 15.20314929 32.53208188 13.81186567 3.76642798 22.31042147 3.04559348 0.07066435 0.66171756 16.79213936 97.72588956 3.75457984 #S 93 Np #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 10 #UO MPFIT Parameter error: [0.0014217933,0.0027196644,0.0026989410,0.0026574881,0.00072923204,0.00084498592,5.6969128e-05,0.00072618897,0.0056844900,0.059305602,1.3110899e-05] #UO MPFIT Standard Dev: 0.0038377075 #UO MPFIT Max relative dev: 0.027379235 #UO MPFIT Average relative dev: 0.0038780780 #UP MPFIT guess (Waasmaier&Kirfel) data: 32.99990100 22.63807700 14.21997300 3.67295000 15.68324500 3.76939100 0.65708600 3.85491800 17.43547400 109.46448500 0.06803300 32.64327679 22.60430101 14.43752068 3.83052598 15.12931302 2.98794434 0.63635924 3.65636186 15.88803466 93.50959958 0.06783444 #S 94 Pu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.0013177470,0.0026249942,0.0027818623,0.0018499944,0.00071189748,0.00093277651,5.3215859e-05,0.00067132680,0.0043290773,0.069151405,1.3327144e-05] #UO MPFIT Standard Dev: 0.0035573003 #UO MPFIT Max relative dev: 0.027487065 #UO MPFIT Average relative dev: 0.0037461490 #UP MPFIT guess (Waasmaier&Kirfel) data: 33.28117800 23.14854400 15.15375500 3.03149200 15.70421500 3.66420000 0.63499900 3.85616800 16.84973500 121.29203800 0.06485700 32.89114822 23.09839499 15.57640146 3.06849154 15.06334425 2.89811885 0.61290312 3.63716663 15.44356030 103.61518316 0.06473308 #S 95 Am #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 11 #UO MPFIT Parameter error: [0.0012901574,0.0027588124,0.0029076006,0.0019080775,0.00069703361,0.0010417772,5.1038297e-05,0.00064821947,0.0040946172,0.070124642,1.3716256e-05] #UO MPFIT Standard Dev: 0.0034085187 #UO MPFIT Max relative dev: 0.027581999 #UO MPFIT Average relative dev: 0.0036825801 #UP MPFIT guess (Waasmaier&Kirfel) data: 33.43516200 23.65725900 15.57633900 3.02702300 15.74610000 3.54116000 0.61278500 3.79294200 16.19577800 117.75700400 0.06175500 33.02310917 23.59414755 16.08710719 3.05160429 15.00738866 2.79583742 0.58946182 3.56398355 14.80962925 101.26355106 0.06167575 #S 96 Cm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.00070290559,0.0013136660,0.0030440945,0.0022053720,0.0030689700,0.0011837624,1.4293308e-05,5.0079495e-05,0.00064287163,0.051171344,0.0042594022] #UO MPFIT Standard Dev: 0.0032678969 #UO MPFIT Max relative dev: 0.026975802 #UO MPFIT Average relative dev: 0.0035563938 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.80483700 33.48080100 24.15019800 3.65556300 15.49986600 3.39084000 0.05861900 0.59016000 3.67472000 100.73619100 15.40829600 14.92952838 33.03254055 24.00228529 3.79349958 16.07933216 2.68191187 0.05858286 0.56470268 3.42619535 86.81878918 13.93081918 #S 97 Bk #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.00070537609,0.0012583869,0.0030540437,0.0016970663,0.0032348573,0.0013340747,1.4749568e-05,4.7057205e-05,0.00061023993,0.060554551,0.0035750357] #UO MPFIT Standard Dev: 0.0030504634 #UO MPFIT Max relative dev: 0.026547790 #UO MPFIT Average relative dev: 0.0034070071 #UP MPFIT guess (Waasmaier&Kirfel) data: 15.88907200 33.62528600 24.71038100 3.70713900 15.83926800 3.21316900 0.05550300 0.56957100 3.61547200 97.69478600 14.75430300 14.87484815 33.25429616 24.75369621 3.05890997 16.98364667 2.55564102 0.05561473 0.54346670 3.41941648 95.53275618 13.62900417 #S 98 Cf #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #UO MPFIT End status: 7 #UO MPFIT Iterations: 9 #UO MPFIT Parameter error: [0.0012527442,0.0032463639,0.0033917293,0.0017347298,0.00074932940,0.0015308025,4.5739270e-05,0.00059355945,0.0034466499,0.059227545,1.5437847e-05] #UO MPFIT Standard Dev: 0.0029545016 #UO MPFIT Max relative dev: 0.025962962 #UO MPFIT Average relative dev: 0.0033112696 #UP MPFIT guess (Waasmaier&Kirfel) data: 33.79407500 25.46769300 16.04848700 3.65752500 16.00898200 3.00532600 0.55044700 3.58197300 14.35738800 96.06497200 0.05245000 33.35395184 25.38419399 17.37894160 3.08843097 14.82268135 2.41071058 0.52171734 3.34704782 13.07655187 91.79465535 0.05263332