Good morning everyone, regarding my research "high resolution laser spectroscopy" I would like to fit the data obtained from the experiment with a Lorentzian curve using Mathematica, so as to calculate the value of FWHM (full width at half maximum). To do this I have started to transcribe the data into "data", as you can see in the picture and also I written the basic instruction to do this:
data = {{1.098`, -1.064`}, {1.1`, -1.064`}, {1.102`, -1.06`},
{1.104`, -1.06`}, {1.106`, -1.056`}, {1.108`, -1.056`}, {1.11`,
-1.056`}, {1.112`, -1.056`}, {1.114`, -1.056`}, {1.116`, -1.056`},
{1.118`, -1.052`}, {1.12`, -1.052`}, {1.122`, -1.048`}, {1.124`,
-1.048`}, {1.126`, -1.044`}, {1.128`, -1.044`}, {1.13`, -1.044`},
{1.132`, -1.044`}, {1.134`, -1.044`}, {1.136`, -1.044`}, {1.138`,
-1.04`}, {1.14`, -1.04`}, {1.142`, -1.04`}, {1.144`, -1.04`},
{1.146`, -1.036`}, {1.148`, -1.036`}, {1.15`, -1.036`}, {1.152`,
-1.032`}, {1.154`, -1.032`}, {1.156`, -1.032`}, {1.158`, -1.028`},
{1.16`, -1.028`}, {1.162`, -1.028`}, {1.164`, -1.028`}, {1.166`,
-1.024`}, {1.168`, -1.024`}, {1.17`, -1.024`}, {1.172`, -1.024`},
{1.174`, -1.02`}, {1.176`, -1.02`}, {1.178`, -1.024`}, {1.18`,
-1.02`}, {1.182`, -1.016`}, {1.184`, -1.016`}, {1.186`, -1.016`},
{1.188`, -1.012`}, {1.19`, -1.012`}, {1.192`, -1.012`}, {1.194`,
-1.008`}, {1.196`, -1.008`}, {1.198`, -1.008`}, {1.2`, -1.008`},
{1.202`, -1.008`}, {1.204`, -1.004`}, {1.206`, -1.004`}, {1.208`,
-1.004`}, {1.21`, -1}, {1.212`, -1}, {1.214`, -1}, {1.216`, -1},
{1.218`, -1}, {1.22`, -0.996`}, {1.222`, -1}, {1.224`, -0.996`},
{1.226`, -0.992`}, {1.228`, -0.996`}, {1.23`, -0.992`}, {1.232`,
-0.992`}, {1.234`, -0.992`}, {1.236`, -0.992`}, {1.238`, -0.988`},
{1.24`, -0.988`}, {1.242`, -0.988`}, {1.244`, -0.984`}, {1.246`,
-0.984`}, {1.248`, -0.984`}, {1.25`, -0.98`}, {1.252`, -0.98`},
{1.254`, -0.98`}, {1.256`, -0.98`}, {1.258`, -0.976`}, {1.26`,
-0.976`}, {1.262`, -0.976`}, {1.264`, -0.976`}, {1.266`, -0.976`},
{1.268`, -0.972`}, {1.27`, -0.972`}, {1.272`, -0.972`}, {1.274`,
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{1.282`, -0.964`}, {1.284`, -0.964`}, {1.286`, -0.964`}, {1.288`,
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{1.296`, -0.952`}, {1.298`, -0.952`}, {1.3`, -0.952`}, {1.302`,
-0.952`}, {1.304`, -0.952`}, {1.306`, -0.952`}, {1.308`, -0.948`},
{1.31`, -0.952`}, {1.312`, -0.948`}, {1.314`, -0.948`}, {1.316`,
-0.948`}, {1.318`, -0.944`}, {1.32`, -0.948`}, {1.322`, -0.944`},
{1.324`, -0.944`}, {1.326`, -0.944`}, {1.328`, -0.94`}, {1.33`,
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{1.338`, -0.94`}, {1.34`, -0.936`}, {1.342`, -0.936`}, {1.344`,
-0.936`}, {1.346`, -0.936`}, {1.348`, -0.936`}, {1.35`, -0.932`},
{1.352`, -0.928`}, {1.354`, -0.928`}, {1.356`, -0.928`}, {1.358`,
-0.928`}, {1.36`, -0.928`}, {1.362`, -0.928`}, {1.364`, -0.928`},
{1.366`, -0.924`}, {1.368`, -0.924`}, {1.37`, -0.924`}, {1.372`,
-0.92`}, {1.374`, -0.924`}, {1.376`, -0.92`}, {1.378`, -0.92`},
{1.38`, -0.92`}, {1.382`, -0.92`}, {1.384`, -0.92`}, {1.386`,
-0.92`}, {1.388`, -0.916`}, {1.39`, -0.916`}, {1.392`, -0.916`},
{1.394`, -0.92`}, {1.396`, -0.916`}, {1.398`, -0.916`}, {1.4`,
-0.916`}, {1.402`, -0.916`}, {1.404`, -0.912`}, {1.406`, -0.912`},
{1.408`, -0.912`}, {1.41`, -0.912`}, {1.412`, -0.912`}, {1.414`,
-0.908`}, {1.416`, -0.912`}, {1.418`, -0.912`}, {1.42`, -0.908`},
{1.422`, -0.908`}, {1.424`, -0.908`}, {1.426`, -0.908`}, {1.428`,
-0.908`}, {1.43`, -0.908`}, {1.432`, -0.908`}, {1.434`, -0.908`},
{1.436`, -0.908`}, {1.438`, -0.908`}, {1.44`, -0.904`}, {1.442`,
-0.908`}, {1.444`, -0.904`}, {1.446`, -0.904`}, {1.448`, -0.904`},
{1.45`, -0.9`}, {1.452`, -0.9`}, {1.454`, -0.904`}, {1.456`, -0.9`},
{1.458`, -0.9`}, {1.46`, -0.9`}, {1.462`, -0.9`}, {1.464`, -0.9`},
{1.466`, -0.9`}, {1.468`, -0.9`}, {1.47`, -0.904`}, {1.472`, -0.9`},
{1.474`, -0.9`}, {1.476`, -0.9`}, {1.478`, -0.9`}, {1.48`, -0.896`},
{1.482`, -0.9`}, {1.484`, -0.9`}, {1.486`, -0.896`}, {1.488`, -0.9`},
{1.49`, -0.9`}, {1.492`, -0.896`}, {1.494`, -0.9`}, {1.496`, -0.9`},
{1.498`, -0.9`}, {1.5`, -0.896`}, {1.502`, -0.9`}, {1.504`, -0.9`},
{1.506`, -0.9`}, {1.508`, -0.9`}, {1.51`, -0.9`}, {1.512`, -0.9`},
{1.514`, -0.904`}, {1.516`, -0.9`}, {1.518`, -0.9`}, {1.52`, -0.9`},
{1.522`, -0.9`}, {1.524`, -0.9`}, {1.526`, -0.9`}, {1.528`, -0.9`},
{1.53`, -0.904`}, {1.532`, -0.904`}, {1.534`, -0.904`}, {1.536`,
-0.904`}, {1.538`, -0.904`}, {1.54`, -0.904`}, {1.542`, -0.904`},
{1.544`, -0.904`}, {1.546`, -0.904`}, {1.548`, -0.908`}, {1.55`,
-0.904`}, {1.552`, -0.904`}, {1.554`, -0.908`}, {1.556`, -0.908`},
{1.558`, -0.904`}, {1.56`, -0.916`}, {1.562`, -0.92`}, {1.564`,
-0.92`}, {1.566`, -0.92`}, {1.568`, -0.924`}, {1.57`, -0.92`},
{1.572`, -0.924`}, {1.574`, -0.92`}, {1.576`, -0.92`}, {1.578`,
-0.928`}, {1.58`, -0.924`}, {1.582`, -0.924`}, {1.584`, -0.928`},
{1.586`, -0.928`}, {1.588`, -0.924`}, {1.59`, -0.928`}, {1.592`,
-0.928`}, {1.594`, -0.928`}, {1.596`, -0.932`}, {1.598`, -0.932`},
{1.6`, -0.932`}, {1.602`, -0.932`}, {1.604`, -0.932`}, {1.606`,
-0.932`}, {1.608`, -0.932`}, {1.61`, -0.936`}, {1.612`, -0.936`},
{1.614`, -0.94`}, {1.616`, -0.94`}, {1.618`, -0.94`}, {1.62`,
-0.94`}, {1.622`, -0.94`}, {1.624`, -0.94`}, {1.626`, -0.944`},
{1.628`, -0.944`}, {1.63`, -0.944`}, {1.632`, -0.944`}, {1.634`,
-0.944`}, {1.636`, -0.944`}, {1.638`, -0.948`}, {1.64`, -0.944`},
{1.642`, -0.948`}, {1.644`, -0.948`}, {1.646`, -0.948`}, {1.648`,
-0.952`}, {1.65`, -0.952`}, {1.652`, -0.952`}, {1.654`, -0.952`},
{1.656`, -0.952`}, {1.658`, -0.956`}, {1.66`, -0.96`}, {1.662`,
-0.96`}, {1.664`, -0.96`}, {1.666`, -0.96`}, {1.668`, -0.96`},
{1.67`, -0.964`}, {1.672`, -0.968`}, {1.674`, -0.964`}, {1.676`,
-0.968`}, {1.678`, -0.968`}, {1.68`, -0.968`}, {1.682`, -0.968`},
{1.684`, -0.968`}, {1.686`, -0.972`}, {1.688`, -0.972`}, {1.69`,
-0.972`}, {1.692`, -0.976`}, {1.694`, -0.976`}, {1.696`, -0.976`},
{1.698`, -0.976`}, {1.7`, -0.976`}, {1.702`, -0.976`}, {1.704`,
-0.976`}, {1.706`, -0.976`}, {1.708`, -0.98`}, {1.71`, -0.98`},
{1.712`, -0.984`}, {1.714`, -0.984`}, {1.716`, -0.984`}, {1.718`,
-0.984`}, {1.72`, -0.984`}, {1.722`, -0.988`}, {1.724`, -0.988`},
{1.726`, -0.992`}, {1.728`, -0.988`}, {1.73`, -0.992`}, {1.732`,
-0.992`}, {1.734`, -0.996`}, {1.736`, -0.996`}, {1.738`, -0.996`},
{1.74`, -0.996`}, {1.742`, -0.996`}, {1.744`, -1}, {1.746`, -1},
{1.748`, -1}, {1.75`, -1}, {1.752`, -1.004`}, {1.754`, -1.004`},
{1.756`, -1.004`}, {1.758`, -1.004`}, {1.76`, -1.008`}, {1.762`,
-1.008`}, {1.764`, -1.008`}, {1.766`, -1.008`}, {1.768`, -1.008`},
{1.77`, -1.012`}, {1.772`, -1.012`}, {1.774`, -1.012`}, {1.776`,
-1.016`}, {1.778`, -1.016`}, {1.78`, -1.016`}, {1.782`, -1.016`},
{1.784`, -1.02`}, {1.786`, -1.02`}, {1.788`, -1.02`}, {1.79`,
-1.024`}, {1.792`, -1.024`}, {1.794`, -1.024`}, {1.796`, -1.024`},
{1.798`, -1.028`}, {1.8`, -1.024`}, {1.802`, -1.028`}, {1.804`,
-1.028`}, {1.806`, -1.032`}, {1.808`, -1.032`}, {1.81`, -1.032`},
{1.812`, -1.036`}, {1.814`, -1.036`}, {1.816`, -1.036`}, {1.818`,
-1.04`}, {1.82`, -1.036`}, {1.822`, -1.04`}, {1.824`, -1.04`},
{1.826`, -1.04`}, {1.828`, -1.04`}, {1.83`, -1.044`}, {1.832`,
-1.044`}, {1.834`, -1.044`}, {1.836`, -1.048`}, {1.838`, -1.048`},
{1.84`, -1.048`}, {1.842`, -1.048`}, {1.844`, -1.048`}, {1.846`,
-1.052`}, {1.848`, -1.052`}, {1.85`, -1.052`}, {1.852`, -1.056`},
{1.854`, -1.056`}, {1.856`, -1.056`}, {1.858`, -1.06`}, {1.86`,
-1.06`}
ListPlot[data, PlotTheme -> "Scientific"]
model = a/((b - t)^2 + d) + c;
result =
NonlinearModelFit[data, {model}, {a, b, c, d}, t,
Method -> "NMinimize"]
Show[ListPlot[data],
Plot[result[t], {t, 1.098`, 1.86`}, PlotRange -> Full]]
max = NMaximize[result[t], t][[1]]
min = NMinimize[result[t], t][[1]]
minmax = data[[All, 1]] // MinMax
fwhm = t /.
NSolve[{result[t] == (max + min)/2, 1.098` < t < 1.86`}, t] //
Differences // First
max1 = FindMaximum[result[t], t] // First
min1 = FindMinimum[{result[t], 1.098` < t < 1.86`}, t] // First
middle = max1 + min1/2
t1t2 = NSolve[{result[t] == (max1 + min1)/2, 1.098` < t < 1.86`}, t]
fwhm1 = t /.
NSolve[{result[t] == (max1 + min1)/2, 1.098` < t < 1.86`}, t] //
Differences // First
The problem is that the Lorentziana does not come out as it should:
Can anyone help me? My goal afterwards will be to use the obtained Lorentzian and make it the sum of three Lorentzians.
Method -> "NMinimize"
. That gives a nice fit. Did not execute the remainder of the code though. $\endgroup$