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| 46 | </head> |
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| 48 | <body lang=EN-US> |
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| 49 | |
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| 50 | <div class=WordSection1> |
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| 51 | |
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| 52 | <p class=MsoNormal><h3><span style='font-family:"Times New Roman","serif"'>Polydisperisty |
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| 53 | and Angular Distributions</span></h3></p> |
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| 54 | |
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| 55 | <p class=MsoNormal><span style='font-family:"Times New Roman","serif"'>Calculates |
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| 56 | the form factor for a polydisperse and/or angular population of particles with |
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| 57 | uniform scattering length density. The resultant form factor is normalized by |
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| 58 | the average particle volume such that P(q) = scale*<F*F>/Vol + bkg, where |
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| 59 | F is the scattering amplitude and the < > denote an average over the size |
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| 60 | distribution. Users should use PD for a size distribution and Sigma for an |
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| 61 | angular distribution.</span></p> |
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| 62 | <p> Note that this computation is very time intensive thus applying polydispersion/angular distrubtion for |
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| 63 | more than one paramters or increasing Npts values might need extensive patience to complete the computation.</p> |
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| 64 | |
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| 65 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 66 | style='font-family:"Times New Roman","serif"'>The following five distribution |
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| 67 | functions are provided;</span></p> |
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| 68 | <p> </p> |
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| 69 | <ul> |
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| 70 | <li><a href="#Rectangular">Rectangular distribution</a></li> |
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| 71 | <li><a href="#Array">Array distribution</a></li> |
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| 72 | <li><a href="#Gaussian">Gaussian distribution</a></li> |
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| 73 | <li><a href="#Lognormal">Lognormal distribution</a></li> |
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| 74 | <li><a href="#Schulz">Schulz distribution</a></li> |
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| 75 | </ul> |
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| 76 | <p> </p> |
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| 77 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 78 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 79 | |
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| 80 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 81 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 82 | |
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| 83 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 84 | style='font-family:"Times New Roman","serif"'><a name="Rectangular"><h4>Rectangular distribution</a></h4></span></p> |
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| 85 | |
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| 86 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 87 | style='font-family:"Times New Roman","serif";position:relative;top:22.0pt'><img |
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| 88 | width=248 height=67 src="pd_image001.png"></span></p> |
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| 89 | |
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| 90 | <p> </p> |
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| 91 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 92 | style='font-family:"Times New Roman","serif"'>The x<sub>mean</sub> is the mean |
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| 93 | of the distribution, w is the half-width, and Norm is a normalization factor |
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| 94 | which is determined during the numerical calculation. Note that the Sigma and |
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| 95 | the half width <i>w</i> are different.</span></p> |
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| 96 | |
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| 97 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 98 | style='font-family:"Times New Roman","serif"'>The standard deviation is </span></p> |
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| 99 | |
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| 100 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 101 | style='font-family:"Times New Roman","serif";position:relative;top:4.0pt'><img |
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| 102 | width=72 height=24 src="pd_image002.png"></span><span |
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| 103 | style='font-family:"Times New Roman","serif"'>. </span></p> |
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| 104 | |
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| 105 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 106 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 107 | |
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| 108 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 109 | style='font-family:"Times New Roman","serif"'>The PD (polydispersity) is </span></p> |
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| 110 | |
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| 111 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 112 | style='font-family:"Times New Roman","serif";position:relative;top:6.0pt'><img |
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| 113 | width=93 height=24 src="pd_image003.png"></span><span |
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| 114 | style='font-family:"Times New Roman","serif"'>.</span></p> |
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| 115 | |
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| 116 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 117 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 118 | |
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| 119 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 120 | style='font-family:"Times New Roman","serif"'><img width=511 height=270 |
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| 121 | id="Picture 1" src="pd_image004.jpg" alt=flat.gif></span></p> |
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| 122 | |
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| 123 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 124 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 125 | |
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| 126 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 127 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 128 | |
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| 129 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 130 | style='font-family:"Times New Roman","serif"'><a name="Array"><h4>Array distribution</h4></a></span></p> |
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| 131 | |
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| 132 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 133 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 134 | |
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| 135 | |
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| 136 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 137 | style='font-family:"Times New Roman","serif"'>This distribution is to be given |
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| 138 | by users as a txt file where the array should be defined by two columns in the |
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| 139 | order of x and f(x) values. The f(x) will be normalized by SansView during the |
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| 140 | computation.</span></p> |
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| 141 | |
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| 142 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 143 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 144 | |
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| 145 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 146 | style='font-family:"Times New Roman","serif"'>Example of an array in the file;</span></p> |
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| 147 | |
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| 148 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 149 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 150 | |
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| 151 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 152 | style='font-family:"Times New Roman","serif"'>30 0.1</span></p> |
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| 153 | |
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| 154 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 155 | style='font-family:"Times New Roman","serif"'>32 0.3</span></p> |
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| 156 | |
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| 157 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 158 | style='font-family:"Times New Roman","serif"'>35 0.4</span></p> |
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| 159 | |
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| 160 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 161 | style='font-family:"Times New Roman","serif"'>36 0.5</span></p> |
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| 162 | |
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| 163 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 164 | style='font-family:"Times New Roman","serif"'>37 0.6</span></p> |
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| 165 | |
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| 166 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 167 | style='font-family:"Times New Roman","serif"'>39 0.7</span></p> |
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| 168 | |
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| 169 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 170 | style='font-family:"Times New Roman","serif"'>41 0.9</span></p> |
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| 171 | |
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| 172 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 173 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 174 | |
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| 175 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 176 | style='font-family:"Times New Roman","serif"'>We use only these array values in |
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| 177 | the computation, therefore the mean value given in the control panel, for |
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| 178 | example radius = 60, will be ignored.</span></p> |
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| 179 | |
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| 180 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 181 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 182 | |
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| 183 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 184 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 185 | |
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| 186 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 187 | style='font-family:"Times New Roman","serif"'><a name="Gaussian"><h4>Gaussian distribution</h4></a></span></p> |
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| 188 | |
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| 189 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 190 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 191 | |
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| 192 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 193 | style='font-family:"Times New Roman","serif";position:relative;top:12.0pt'><img |
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| 194 | width=212 height=44 src="pd_image005.png"></span></p> |
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| 195 | |
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| 196 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 197 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 198 | |
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| 199 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 200 | style='font-family:"Times New Roman","serif"'>The x<sub>mean</sub> is the mean |
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| 201 | of the distribution and Norm is a normalization factor which is determined |
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| 202 | during the numerical calculation.</span></p> |
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| 203 | |
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| 204 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 205 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 206 | |
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| 207 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 208 | style='font-family:"Times New Roman","serif"'>The PD (polydispersity) is </span></p> |
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| 209 | |
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| 210 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 211 | style='font-family:"Times New Roman","serif";position:relative;top:6.0pt'><img |
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| 212 | width=93 height=24 src="pd_image003.png"></span><span |
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| 213 | style='font-family:"Times New Roman","serif"'>.</span></p> |
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| 214 | |
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| 215 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 216 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 217 | |
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| 218 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 219 | style='font-family:"Times New Roman","serif"'><img width=518 height=275 |
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| 220 | id="Picture 2" src="pd_image006.jpg" alt=gauss.gif></span></p> |
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| 221 | |
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| 222 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 223 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 224 | |
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| 225 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 226 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 227 | |
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| 228 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 229 | style='font-family:"Times New Roman","serif"'><a name="Lognormal"><h4>Lognormal distribution</h4></a></span></p> |
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| 230 | |
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| 231 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 232 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 233 | |
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| 234 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 235 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 236 | |
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| 237 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 238 | style='font-family:"Times New Roman","serif";position:relative;top:14.0pt'><img |
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| 239 | width=236 height=47 src="pd_image007.png"></span></p> |
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| 240 | |
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| 241 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 242 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 243 | |
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| 244 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 245 | style='font-family:"Times New Roman","serif"'>The mu = ln(x<sub>med</sub>), x<sub>med</sub> |
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| 246 | is the median value of the distribution, and Norm is a normalization factor |
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| 247 | which will be determined during the numerical calculation. The median value is |
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| 248 | the value given in the size parameter in the control panel, for example, |
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| 249 | radius = 60.</span></p> |
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| 250 | |
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| 251 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 252 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 253 | |
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| 254 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 255 | style='font-family:"Times New Roman","serif"'>The PD (polydispersity) is given |
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| 256 | by sigma,</span></p> |
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| 257 | |
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| 258 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 259 | style='font-family:"Times New Roman","serif";position:relative;top:5.0pt'><img |
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| 260 | width=55 height=21 src="pd_image008.png"></span><span |
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| 261 | style='font-family:"Times New Roman","serif"'>.</span></p> |
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| 262 | |
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| 263 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 264 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 265 | |
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| 266 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 267 | style='font-family:"Times New Roman","serif"'>For the angular distribution,</span></p> |
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| 268 | |
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| 269 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 270 | style='font-family:"Times New Roman","serif";position:relative;top:6.0pt'><img |
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| 271 | width=76 height=24 src="pd_image009.png"></span></p> |
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| 272 | |
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| 273 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 274 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 275 | |
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| 276 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 277 | style='font-family:"Times New Roman","serif"'>The mean value is given by x<sub>mean</sub> |
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| 278 | =exp(mu+p^2/2).</span></p> |
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| 279 | |
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| 280 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 281 | style='font-family:"Times New Roman","serif"'>The peak value is given by x<sub>peak</sub>=exp(mu-p^2).</span></p> |
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| 282 | |
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| 283 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 284 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 285 | |
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| 286 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 287 | style='font-family:"Times New Roman","serif"'><img width=450 height=239 |
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| 288 | id="Picture 7" src="pd_image010.jpg" alt=lognormal.gif></span></p> |
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| 289 | |
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| 290 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 291 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 292 | |
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| 293 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 294 | style='font-family:"Times New Roman","serif"'>This distribution function |
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| 295 | spreads more and the peak shifts to the left as the p increases, requiring |
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| 296 | higher values of Nsigmas and Npts.</span></p> |
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| 297 | |
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| 298 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 299 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 300 | |
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| 301 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 302 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 303 | |
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| 304 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 305 | style='font-family:"Times New Roman","serif"'><a name="Schulz"><h4>Schulz distribution</h4></a></span></p> |
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| 306 | |
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| 307 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 308 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 309 | |
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| 310 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 311 | style='font-family:"Times New Roman","serif";position:relative;top:15.0pt'><img |
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| 312 | width=347 height=45 src="pd_image011.png"></span></p> |
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| 313 | |
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| 314 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 315 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 316 | |
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| 317 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 318 | style='font-family:"Times New Roman","serif"'>The x<sub>mean</sub> is the mean |
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| 319 | of the distribution and Norm is a normalization factor which is determined |
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| 320 | during the numerical calculation. </span></p> |
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| 321 | |
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| 322 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 323 | style='font-family:"Times New Roman","serif"'>The z = 1/p^2 1.</span></p> |
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| 324 | |
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| 325 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 326 | style='font-family:"Times New Roman","serif"'> </span></p> |
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| 327 | |
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| 328 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 329 | style='font-family:"Times New Roman","serif"'>The PD (polydispersity) is </span></p> |
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| 330 | |
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| 331 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 332 | style='font-family:"Times New Roman","serif";position:relative;top:6.0pt'><img |
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| 333 | width=80 height=24 src="pd_image012.png"></span><span |
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| 334 | style='font-family:"Times New Roman","serif"'>.</span></p> |
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| 335 | |
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| 336 | <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt'><span |
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| 337 | style='font-family:"Times New Roman","serif"'><img width=438 height=232 |
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| 338 | id="Picture 4" src="pd_image013.jpg" alt=schulz.gif></span></p> |
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| 339 | |
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| 340 | </div> |
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| 341 | |
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| 342 | </body> |
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| 343 | |
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| 344 | </html> |
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