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<li><a class="reference internal" href="#">nptools Package</a><ul>
<li><a class="reference internal" href="#module-skspec.nptools.haiss"><tt class="docutils literal"><span class="pre">haiss</span></tt> Module</a></li>
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<div class="section" id="nptools-package">
<h1>nptools Package<a class="headerlink" href="#nptools-package" title="Permalink to this headline">¶</a></h1>
<div class="section" id="module-skspec.nptools.haiss">
<span id="haiss-module"></span><h2><tt class="xref py py-mod docutils literal"><span class="pre">haiss</span></tt> Module<a class="headerlink" href="#module-skspec.nptools.haiss" title="Permalink to this headline">¶</a></h2>
<p>Series of utilities for determining the size of spherical gold nanoparticles
from the optical aborsbance spectra, as published in:</p>
<p>Haiss, Thanh, Aveyard, Fernig, Determination of Size and Concentration of Gold
Nanoparticles from UV-Vis Spectra Anal. Chem, 79, 2007.</p>
<p>Three functions are build based on the results of this paper, as well as a utility
for estimating nanoparticle concentration.</p>
<dl class="function">
<dt id="skspec.nptools.haiss.haiss_conc">
<tt class="descclassname">skspec.nptools.haiss.</tt><tt class="descname">haiss_conc</tt><big>(</big><em>ts</em>, <em>d</em>, <em>style='boxcar'</em>, <em>width=None</em>, <em>limit_range=(400.0</em>, <em>700.0)</em>, <em>ref=450.0</em>, <em>ref_width=None</em>, <em>exp=True</em><big>)</big><a class="reference internal" href="../_modules/skspec/nptools/haiss.html#haiss_conc"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#skspec.nptools.haiss.haiss_conc" title="Permalink to this definition">¶</a></dt>
<dd><p>Return estimation of AuNP concentration given the diameter of gold nanoparticles as the Absorbance
at 450nm (or other wavelength controlled by ref). Should be valid for particles with diameters ranging
from 2.5nm to 100nm and possibly beyond these limits. Works for stock and dilute samples.</p>
<p>ts: TimeSpectra.
d: Size of gold nanoparticles in nm
style: Smoothing style. For now, only boxcar is used.
width: Smoothing binwidth in units of ts.specunit. If None or 0, no smoothing is performed.
limit_range: width of the range used (default is (400.0,700.0)
ref: Wavelength used for calibration in haiss paper (default is 450nm)
ref_width: +/- wavelength to average around peak value when determining Absorbance at ref.
exp: If true, use experimental parameters from Haiss et. al. to do fit; otherwise use theoretical.</p>
<blockquote>
<div>I verified that dilution is not a factor by including it into some trials. Since N scales linearly
with A450, then a dilution of .1 yeilds 1/10th N and so forth. Therefore, uses can take results form
this function, and scale them up by the dilution factor to get the full-batch number density.</div></blockquote>
</dd></dl>
<dl class="function">
<dt id="skspec.nptools.haiss.haiss_m1">
<tt class="descclassname">skspec.nptools.haiss.</tt><tt class="descname">haiss_m1</tt><big>(</big><em>ts</em>, <em>style='boxcar'</em>, <em>width=None</em>, <em>limit_range=(400.0</em>, <em>700.0)</em><big>)</big><a class="reference internal" href="../_modules/skspec/nptools/haiss.html#haiss_m1"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#skspec.nptools.haiss.haiss_m1" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper function for Haiss method 1. Allows for range slicing/smoothing and applies
haiss_m1 over the entire timespectra object.</p>
<p>ts: TimeSpectra.
style: Smoothing style. For now, only boxcar is used.
width: Smoothing binwidth in units of ts.specunit. If None or 0, no smoothing is performed.
limit_range: width of the range used (default is (400.0,700.0)</p>
</dd></dl>
<dl class="function">
<dt id="skspec.nptools.haiss.haiss_m2">
<tt class="descclassname">skspec.nptools.haiss.</tt><tt class="descname">haiss_m2</tt><big>(</big><em>ts</em>, <em>ref=450.0</em>, <em>width=None</em>, <em>style='boxcar'</em>, <em>ref_width=None</em>, <em>peak_width=None</em>, <em>limit_range=(400.0</em>, <em>700.0)</em>, <em>exp=True</em><big>)</big><a class="reference internal" href="../_modules/skspec/nptools/haiss.html#haiss_m2"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#skspec.nptools.haiss.haiss_m2" title="Permalink to this definition">¶</a></dt>
<dd><dl class="docutils">
<dt>Wrapper for haiss_m2 to return diamter of nanoparticles based on features of its</dt>
<dd>absorbance spectrum relative to water. Program has special call options to handle
smoothing and range slicing on the fly.</dd>
</dl>
<p>curve:
smooth: If True, applies smoothing to ts.
boxcar: The value of boxcar when smoothing the spectrum.
width: Smoothing binwidth in units of ts.specunit.
limit_range: width of the range used (default is (400.0,700.0)
peak_width: +/- wavelength to average around peak value when determining Absorbance at SPR.
Xspr: x value (wavelength) corresponding to max y
Aspr: if using peak_width, uses average value of absorbance in range [Xspr-peak_width : Xspr+peak_width] as maximum absorbance. Otherwise, defaults to max value.
ref_width: The width of the range designated for reference point window
Aref: if using ref_width, uses average value of absorbance in range [refspr-ref_width : refspr+ref_width] as reference value. Otherwise, defaults to max value
exp: If true, use experimental parameters from Haiss et. al. to do fit; otherwise use theoretical.</p>
</dd></dl>
<dl class="function">
<dt id="skspec.nptools.haiss.haiss_m3">
<tt class="descclassname">skspec.nptools.haiss.</tt><tt class="descname">haiss_m3</tt><big>(</big><em>ts</em>, <em>Cau</em>, <em>dilution=None</em>, <em>style='boxcar'</em>, <em>width=None</em>, <em>limit_range=(400.0</em>, <em>700.0)</em>, <em>peak_width=None</em>, <em>exp=True</em><big>)</big><a class="reference internal" href="../_modules/skspec/nptools/haiss.html#haiss_m3"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#skspec.nptools.haiss.haiss_m3" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper function for Haiss method 3. Estimates diamter of gold nanoparticles
based on the SPR max of the absorbance and the initial concentration of gold use to synthesize
the nanoparticles. Should be valid between 5-50nm diatmeters. Please take note of the dilution
parameter description below.</p>
<p>ts: TimeSpectra.
Cau: Initial concentration of gold used to synthesize nps (in mol/L)
dilution: This method requires absorbance of FULLY concentrated np solution. If data was taken for</p>
<blockquote>
<div>a dilute conenctration, say 10% stock NP concentration, then use dilution=0.1.</div></blockquote>
<p>style: Smoothing style. For now, only boxcar is used.
width: Smoothing binwidth in units of ts.specunit. If None or 0, no smoothing is performed.
limit_range: width of the range used (default is (400.0,700.0)
peak_width: +/- wavelength to average around peak value when determining Absorbance at SPR.
exp: If true, use experimental parameters from Haiss et. al. to do fit; otherwise use theoretical.</p>
</dd></dl>
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