fpraktikum/tem/auswertung/gold_diffr.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [],
   "source": [
    "from utility import *\n",
    "import numpy as np\n",
    "import matplotlib.pyplot as plt"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [],
   "source": [
    "profile = load_profiles('../messungen/gold_diffr/peaks.txt')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(<Figure size 640x480 with 1 Axes>,\n <matplotlib.axes._subplots.AxesSubplot at 0x7fac39e3f490>)"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "%matplotlib qt5\n",
    "plot_diffr_profile(profile)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "data": {
      "image/png": [
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      ],
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "%matplotlib inline\n",
    "candidates, d_candidates, sigma_candidates = analyze_diffr_profile(profile, limits=[100, -1], distance=15, prominence=.001)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 138,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "ename": "TypeError",
     "evalue": "object of type 'function' has no len()",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m\u001b[0m",
      "\u001b[0;31mTypeError\u001b[0mTraceback (most recent call last)",
      "\u001b[0;32m<ipython-input-138-7fa66147a009>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m\u001b[0m\n\u001b[0;32m----> 1\u001b[0;31m \u001b[0mhypothesis\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mevaluate_hypothesis\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0marray\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mcandidates\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0md_candidates\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0msigma_candidates\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mT\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mmaximum\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m80\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m      2\u001b[0m \u001b[0mprint\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mhypothesis\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/Documents/Projects/UNI/Prakt/FP/tem/auswertung/utility.py\u001b[0m in \u001b[0;36mevaluate_hypothesis\u001b[0;34m(analyzed, maximum, gold)\u001b[0m\n\u001b[1;32m    227\u001b[0m     \u001b[0mdiffs\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mempty\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mmaximum\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0manalyzed\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshape\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    228\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 229\u001b[0;31m     \u001b[0msquared_ds\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m[\u001b[0m\u001b[0mx\u001b[0m \u001b[0;32mfor\u001b[0m \u001b[0mx\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0marange\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mmaximum\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;32mif\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mfind_miller_indices\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m>\u001b[0m \u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    230\u001b[0m     \u001b[0mds\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0msqrt\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0msquared_ds\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    231\u001b[0m     \u001b[0ma\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0manalyzed\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mds\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m:\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/Documents/Projects/UNI/Prakt/FP/tem/auswertung/utility.py\u001b[0m in \u001b[0;36m<listcomp>\u001b[0;34m(.0)\u001b[0m\n\u001b[1;32m    227\u001b[0m     \u001b[0mdiffs\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mempty\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mmaximum\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0manalyzed\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshape\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    228\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 229\u001b[0;31m     \u001b[0msquared_ds\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m[\u001b[0m\u001b[0mx\u001b[0m \u001b[0;32mfor\u001b[0m \u001b[0mx\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0marange\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mmaximum\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;32mif\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mfind_miller_indices\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m>\u001b[0m \u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    230\u001b[0m     \u001b[0mds\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0msqrt\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0msquared_ds\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    231\u001b[0m     \u001b[0ma\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0manalyzed\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mds\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m:\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mTypeError\u001b[0m: object of type 'function' has no len()"
     ]
    }
   ],
   "source": [
    "hypothesis = evaluate_hypothesis(np.array([candidates, d_candidates, sigma_candidates]).T, maximum=80)\n",
    "print(hypothesis)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 101,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\\(\\sqrt{4}\\) & 0.4366 & 0.0031 & 0.0339 & 0.029 \\\\\n",
      "\\(\\sqrt{4}\\) & 0.3865 & 0.0025 & 0.0131 & 0.021 \\\\\n",
      "\\(\\sqrt{9}\\) & 0.3993 & 0.0018 & 0.0194 & 0.009 \\\\\n",
      "\\(\\sqrt{11}\\) & 0.3994 & 0.0016 & 0.0017 & 0.008 \\\\\n",
      "\\(\\sqrt{13}\\) & 0.4098 & 0.0015 & 0.0206 & 0.002 \\\\\n",
      "\\(\\sqrt{23}\\) & 0.4076 & 0.0011 & 0.02 & 0.000 \\\\\n",
      "\\(\\sqrt{28}\\) & 0.4085 & 0.001 & 0.0108 & 0.001 \\\\\n",
      "\\(\\sqrt{31}\\) & 0.4081 & 0.001 & 0.0079 & 0.000 \\\\\n",
      "\\(\\sqrt{40}\\) & 0.4057 & 0.0009 & 0.0119 & 0.002 \\\\\n",
      "\n"
     ]
    }
   ],
   "source": [
    "print(generate_hypethsesis_table(*hypothesis))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 135,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[  730.29050427  4120.30484636  2244.84475614 95331.69131926\n",
      "  2037.07066904  2236.39955377  7100.34700268 12776.96536546\n",
      "  6167.76634145]\n"
     ]
    }
   ],
   "source": [
    "a, d_a, sigma_a = determine_lattice_constant(hypothesis)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 136,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(0.4011, 0.0027, 0.0051)"
      ]
     },
     "execution_count": 136,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "scientific_round(a, d_a, sigma_a)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 137,
   "metadata": {
    "autoscroll": false,
    "collapsed": false,
    "ein.hycell": false,
    "ein.tags": "worksheet-0",
    "slideshow": {
     "slide_type": "-"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "5 & \\mqty{2 & 0 & 0} \\\\\n",
      "10 & \\mqty{2 & 2 & 1}, \\mqty{3 & 0 & 0} \\\\\n",
      "12 & \\mqty{3 & 1 & 1} \\\\\n",
      "14 & \\mqty{3 & 2 & 0} \\\\\n",
      "24  \\\\\n",
      "29  \\\\\n",
      "32  \\\\\n",
      "41 & \\mqty{6 & 2 & 0} \\\\\n",
      "\n"
     ]
    }
   ],
   "source": [
    "print(generate_miller_table(hypothesis[0]))"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "argv": [
    "/usr/bin/python3",
    "-m",
    "ipykernel_launcher",
    "-f",
    "{connection_file}"
   ],
   "display_name": "Python 3",
   "env": null,
   "interrupt_mode": "signal",
   "language": "python",
   "metadata": null,
   "name": "python3"
  },
  "name": "gold_diffr.ipynb"
 },
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}