'-------------------------------------------------------------- 'Input File for Peak Fitting with overall TCHz peak shape 'To find peaks load experimental data into topas 'Use View/search peaks then insert peaks 'Click on plus sign by file name 'Click on peaks phase 'Highlight Position and Area columns, right click to copy then paste below 'Use save/set current button then run with F6 in topas '-------------------------------------------------------------- r_wp 30.529 r_exp 11.957 r_p 22.035 r_wp_dash 34.821 r_p_dash 26.501 r_exp_dash 13.637 weighted_Durbin_Watson 0.457 gof 2.553 '-------------------------------------------------------------- 'General information about refinement here 'Remove comments as required '-------------------------------------------------------------- iters 100000 chi2_convergence_criteria 0.001 'do_errors '-------------------------------------------------------------- 'Information on datafile etc here '-------------------------------------------------------------- xdd y2o3_fwhm_01.xye x_calculation_step = Yobs_dx_at(Xo); convolution_step 4 LP_Factor(!th2_monochromator, 27.26) CuKa1(0.0001) bkg @ 13.1155984` 2.70073042` -1.44519506` 0.563823322` -0.686455546` -0.477896267` prm !pklor 0.0 min 0 max 1 xo_Is xo @ 16.6674941` I @ 0.0478011497` peak_type pv pv_lor =pklor; pv_fwhm @ 0.122431889` min 0.001 max 1 xo_Is xo @ 20.4589883` I @ 3.36597139` peak_type pv pv_lor =pklor; pv_fwhm @ 0.134315931` min 0.001 max 1 xo_Is xo @ 29.1281688` I @ 61.1448229` peak_type pv pv_lor =pklor; pv_fwhm @ 0.118515824` min 0.001 max 1 xo_Is xo @ 31.528396` I @ 0.223112503` peak_type pv pv_lor =pklor; pv_fwhm @ 0.0956210468` min 0.001 max 1 xo_Is xo @ 33.7711221` I @ 20.5541792` peak_type pv pv_lor =pklor; pv_fwhm @ 0.113487684` min 0.001 max 1 xo_Is xo @ 35.8919445` I @ 4.78880885` peak_type pv pv_lor =pklor; pv_fwhm @ 0.110662299` min 0.001 max 1 xo_Is xo @ 37.9112957` I @ 1.13436229` peak_type pv pv_lor =pklor; pv_fwhm @ 0.0962158008` min 0.001 max 1 xo_Is xo @ 39.8387723` I @ 7.40496941` peak_type pv pv_lor =pklor; pv_fwhm @ 0.107341267` min 0.001 max 1 xo_Is xo @ 41.6937669` I @ 1.14572757` peak_type pv pv_lor =pklor; pv_fwhm @ 0.097939779` min 0.001 max 1 xo_Is xo @ 43.4816851` I @ 12.7249483` peak_type pv pv_lor =pklor; pv_fwhm @ 0.108210111` min 0.001 max 1 xo_Is xo @ 46.8970716` I @ 4.79991717` peak_type pv pv_lor =pklor; pv_fwhm @ 0.105170589` min 0.001 max 1 xo_Is xo @ 48.532766` I @ 83.5327483` peak_type pv pv_lor =pklor; pv_fwhm @ 0.11133288` min 0.001 max 1 xo_Is xo @ 50.1299288` I @ 4.45046266` peak_type pv pv_lor =pklor; pv_fwhm @ 0.107510348` min 0.001 max 1 xo_Is xo @ 51.6920845` I @ 0.767220183` peak_type pv pv_lor =pklor; pv_fwhm @ 0.0877545242` min 0.001 max 1 xo_Is xo @ 53.2168139` I @ 12.269772` peak_type pv pv_lor =pklor; pv_fwhm @ 0.106576896` min 0.001 max 1 xo_Is xo @ 54.7162509` I @ 2.76130124` peak_type pv pv_lor =pklor; pv_fwhm @ 0.102217515` min 0.001 max 1 xo_Is xo @ 56.1847231` I @ 11.440272` peak_type pv pv_lor =pklor; pv_fwhm @ 0.109583229` min 0.001 max 1 xo_Is xo @ 57.63062` I @ 82.9904316` peak_type pv pv_lor =pklor; pv_fwhm @ 0.111780799` min 0.001 max 1 xo_Is xo @ 59.0525809` I @ 18.3255044` peak_type pv pv_lor =pklor; pv_fwhm @ 0.113137429` min 0.001 max 1 xo_Is xo @ 60.4555649` I @ 15.623838` peak_type pv pv_lor =pklor; pv_fwhm @ 0.109922574` min 0.001 max 1 xo_Is xo @ 61.8381846` I @ 6.75434836` peak_type pv pv_lor =pklor; pv_fwhm @ 0.106287434` min 0.001 max 1 xo_Is xo @ 63.2042283` I @ 4.0208924` peak_type pv pv_lor =pklor; pv_fwhm @ 0.0977701861` min 0.001 max 1 xo_Is xo @ 64.5531817` I @ 11.7113488` peak_type pv pv_lor =pklor; pv_fwhm @ 0.106229633` min 0.001 max 1 xo_Is xo @ 65.8860463` I @ 5.55560812` peak_type pv pv_lor =pklor; pv_fwhm @ 0.110303144` min 0.001 max 1 xo_Is xo @ 69.8088885` I @ 8.8700638` peak_type pv pv_lor =pklor; pv_fwhm @ 0.110114558` min 0.001 max 1 xo_Is xo @ 71.0941782` I @ 19.6261309` peak_type pv pv_lor =pklor; pv_fwhm @ 0.121049521` min 0.001 max 1 xo_Is xo @ 72.3711939` I @ 16.8022627` peak_type pv pv_lor =pklor; pv_fwhm @ 0.119507093` min 0.001 max 1 xo_Is xo @ 73.6354222` I @ 9.08076622` peak_type pv pv_lor =pklor; pv_fwhm @ 0.11533921` min 0.001 max 1 xo_Is xo @ 74.8936345` I @ 10.4841751` peak_type pv pv_lor =pklor; pv_fwhm @ 0.117287563` min 0.001 max 1 xo_Is xo @ 76.1474354` I @ 6.39684438` peak_type pv pv_lor =pklor; pv_fwhm @ 0.113976191` min 0.001 max 1 xo_Is xo @ 77.3905315` I @ 17.9654204` peak_type pv pv_lor =pklor; pv_fwhm @ 0.123731856` min 0.001 max 1 xo_Is xo @ 78.6273648` I @ 41.5322418` peak_type pv pv_lor =pklor; pv_fwhm @ 0.129607276` min 0.001 max 1 xo_Is xo @ 81.0885067` I @ 28.5994599` peak_type pv pv_lor =pklor; pv_fwhm @ 0.128156651` min 0.001 max 1 xo_Is xo @ 82.3114422` I @ 5.37000782` peak_type pv pv_lor =pklor; pv_fwhm @ 0.11472314` min 0.001 max 1 xo_Is xo @ 83.5333077` I @ 6.21322934` peak_type pv pv_lor =pklor; pv_fwhm @ 0.125286772` min 0.001 max 1 xo_Is xo @ 84.7499293` I @ 13.4334939` peak_type pv pv_lor =pklor; pv_fwhm @ 0.125578109` min 0.001 max 1 xo_Is xo @ 85.9681649` I @ 0.760770683` peak_type pv pv_lor =pklor; pv_fwhm @ 0.0913651835`_LIMIT_MIN_0.001 min 0.001 max 1 xo_Is xo @ 87.1775824` I @ 15.3428629` peak_type pv pv_lor =pklor; pv_fwhm @ 0.13001745` min 0.001 max 1 xo_Is xo @ 89.6009905` I @ 16.1413708` peak_type pv pv_lor =pklor; pv_fwhm @ 0.130399847` min 0.001 max 1 xo_Is xo @ 90.8134888` I @ 36.4752122` peak_type pv pv_lor =pklor; pv_fwhm @ 0.140786808` min 0.001 max 1 xo_Is xo @ 92.0240014` I @ 16.1305587` peak_type pv pv_lor =pklor; pv_fwhm @ 0.138495075` min 0.001 max 1 xo_Is xo @ 93.2362318` I @ 9.89435662` peak_type pv pv_lor =pklor; pv_fwhm @ 0.132165646` min 0.001 max 1 xo_Is xo @ 94.4533782` I @ 5.33184483` peak_type pv pv_lor =pklor; pv_fwhm @ 0.134636648` min 0.001 max 1 xo_Is xo @ 95.6662848` I @ 24.1972897` peak_type pv pv_lor =pklor; pv_fwhm @ 0.151837287` min 0.001 max 1 xo_Is xo @ 96.8838943` I @ 5.90941298` peak_type pv pv_lor =pklor; pv_fwhm @ 0.140620926` min 0.001 max 1 xo_Is xo @ 98.1064215` I @ 33.6910249` peak_type pv pv_lor =pklor; pv_fwhm @ 0.152728495` min 0.001 max 1 xo_Is xo @ 99.3300615` I @ 21.4520682` peak_type pv pv_lor =pklor; pv_fwhm @ 0.158165915` min 0.001 max 1 xo_Is xo @ 101.794294` I @ 17.2674678` peak_type pv pv_lor =pklor; pv_fwhm @ 0.160407402` min 0.001 max 1 xo_Is xo @ 103.036621` I @ 19.250835` peak_type pv pv_lor =pklor; pv_fwhm @ 0.165625847` min 0.001 max 1 xo_Is xo @ 104.280021` I @ 14.2256605` peak_type pv pv_lor =pklor; pv_fwhm @ 0.16855914` min 0.001 max 1 xo_Is xo @ 105.533903` I @ 17.1984913` peak_type pv pv_lor =pklor; pv_fwhm @ 0.172778839` min 0.001 max 1 xo_Is xo @ 106.793742` I @ 13.7520677` peak_type pv pv_lor =pklor; pv_fwhm @ 0.169567573` min 0.001 max 1 xo_Is xo @ 109.341096` I @ 15.9634299` peak_type pv pv_lor =pklor; pv_fwhm @ 0.171088205` min 0.001 max 1 xo_Is xo @ 110.632147` I @ 8.56604744` peak_type pv pv_lor =pklor; pv_fwhm @ 0.164361626` min 0.001 max 1 xo_Is xo @ 113.243346` I @ 7.5971587` peak_type pv pv_lor =pklor; pv_fwhm @ 0.175078619` min 0.001 max 1 xo_Is xo @ 114.570225` I @ 13.1685764` peak_type pv pv_lor =pklor; pv_fwhm @ 0.186165592` min 0.001 max 1 xo_Is xo @ 115.911438` I @ 5.42333198` peak_type pv pv_lor =pklor; pv_fwhm @ 0.170614379` min 0.001 max 1 xo_Is xo @ 117.261522` I @ 10.924894` peak_type pv pv_lor =pklor; pv_fwhm @ 0.190328295` min 0.001 max 1 xo_Is xo @ 118.633726` I @ 24.5145941` peak_type pv pv_lor =pklor; pv_fwhm @ 0.205654888` min 0.001 max 1 xo_Is xo @ 120.021342` I @ 3.62104366` peak_type pv pv_lor =pklor; pv_fwhm @ 0.165216498` min 0.001 max 1 xo_Is xo @ 121.430746` I @ 10.7799886` peak_type pv pv_lor =pklor; pv_fwhm @ 0.206247527` min 0.001 max 1 xo_Is xo @ 122.861096` I @ 18.1807874` peak_type pv pv_lor =pklor; pv_fwhm @ 0.222008582` min 0.001 max 1 xo_Is xo @ 124.315318` I @ 11.6503971` peak_type pv pv_lor =pklor; pv_fwhm @ 0.22413864` min 0.001 max 1 xo_Is xo @ 125.792948` I @ 11.0228247` peak_type pv pv_lor =pklor; pv_fwhm @ 0.223355344` min 0.001 max 1 xo_Is xo @ 127.299386` I @ 15.3312906` peak_type pv pv_lor =pklor; pv_fwhm @ 0.233787116` min 0.001 max 1 xo_Is xo @ 128.841849` I @ 8.77066305` peak_type pv pv_lor =pklor; pv_fwhm @ 0.233600151` min 0.001 max 1 xo_Is xo @ 132.021011` I @ 13.7283894` peak_type pv pv_lor =pklor; pv_fwhm @ 0.244136595` min 0.001 max 1 xo_Is xo @ 133.672692` I @ 14.384782` peak_type pv pv_lor =pklor; pv_fwhm @ 0.271220516` min 0.001 max 1 xo_Is xo @ 135.373846` I @ 7.97860081` peak_type pv pv_lor =pklor; pv_fwhm @ 0.28986131` min 0.001 max 1 xo_Is xo @ 137.126638` I @ 26.0150462` peak_type pv pv_lor =pklor; pv_fwhm @ 0.307112713` min 0.001 max 1 xo_Is xo @ 138.936039` I @ 8.56036017` peak_type pv pv_lor =pklor; pv_fwhm @ 0.295972766` min 0.001 max 1 xo_Is xo @ 140.814505` I @ 18.7400792` peak_type pv pv_lor =pklor; pv_fwhm @ 0.33261846` min 0.001 max 1 xo_Is xo @ 142.775692` I @ 9.03518993` peak_type pv pv_lor =pklor; pv_fwhm @ 0.328814216` min 0.001 max 1 xo_Is xo @ 144.819174` I @ 4.96064677` peak_type pv pv_lor =pklor; pv_fwhm @ 0.328396344` min 0.001 max 1 xo_Is xo @ 146.978938` I @ 6.13532878` peak_type pv pv_lor =pklor; pv_fwhm @ 0.345537298` min 0.001 max 1 xo_Is xo @ 149.274972` I @ 6.62869476` peak_type pv pv_lor =pklor; pv_fwhm @ 0.396801827` min 0.001 max 1