{ "cells": [ { "cell_type": "code", "execution_count": 20, "id": "137cc2e2", "metadata": {}, "outputs": [ { "data": { "text/plain": [ "'/home/chn/repo/SiC-2nd-paper'" ] }, "execution_count": 20, "metadata": {}, "output_type": "execute_result" } ], "source": [ "import numpy as np\n", "from scipy.optimize import curve_fit\n", "import matplotlib.pyplot as plt\n", "import plotly.graph_objects as go\n", "import matplotlib\n", "\n", "def lorentzian(x, A, x0, gamma, k, b):\n", " return A / (1 + ((x - x0) / gamma)**2) + k * x + b\n", "def double_lorentzian(x, A1, x1, gamma1, A2, x2, gamma2, k, b):\n", " return lorentzian(x, A1, x1, gamma1, k, b) + lorentzian(x, A2, x2, gamma2, 0, 0)\n", "\n", "%pwd" ] }, { "cell_type": "code", "execution_count": 21, "id": "a7f3de62", "metadata": {}, "outputs": [], "source": [ "def fitting_peek(x, y, x_range, function, guess, bound):\n", " mask = (x > x_range[0]) & (x < x_range[1])\n", " x = x[mask]\n", " y = y[mask]\n", " popt, pcov = curve_fit(function, x, y, p0=guess, maxfev=100000, bounds=bound)\n", " return popt\n", "\n", "def fitting_line(x, y):\n", " shift = []\n", " integration = []\n", "\n", " result = fitting_peek(x, y, fitting_range[0], double_lorentzian, fitting_init_parameter[0], fitting_bound[0])\n", " shift.append(result[1])\n", " shift.append(result[4])\n", " integration.append(result[0] * result[2] * np.pi)\n", " integration.append(result[3] * result[5] * np.pi)\n", "\n", " result = fitting_peek(x, y, fitting_range[1], lorentzian, fitting_init_parameter[1], fitting_bound[1])\n", " shift.append(result[1])\n", " integration.append(result[0] * result[2] * np.pi)\n", "\n", " result = fitting_peek(x, y, fitting_range[2], lorentzian, fitting_init_parameter[2], fitting_bound[2])\n", " shift.append(result[1])\n", " integration.append(result[0] * result[2] * np.pi)\n", "\n", " result = fitting_peek(x, y, fitting_range[3], double_lorentzian, fitting_init_parameter[3], fitting_bound[3])\n", " shift.append(result[1])\n", " shift.append(result[4])\n", " integration.append(result[0] * result[2] * np.pi)\n", " integration.append(result[3] * result[5] * np.pi)\n", "\n", " return shift, integration" ] }, { "cell_type": "code", "execution_count": 22, "id": "7a954828", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[ 170.091 170.609 171.128 ... 1099.03 1099.48 1099.94 ]\n" ] } ], "source": [ "# 假定所有的 x 都是一样的，从第一个文件中读入\n", "def read_x():\n", " with open(\"画图/拉曼结果拟合/2509xx/zyyz.txt\", \"r\", encoding=\"utf-8\", errors=\"ignore\") as f:\n", " line = f.readline()\n", " return np.array([float(val) for val in line.strip().split()])\n", "x = read_x()\n", "print(x)\n", "\n", "# y 的下标为：polarization site\n", "y = []\n", "for polarization in [ \"zyyz\", \"zyxz\" ]:\n", " y_polarization = []\n", " with open(f\"画图/拉曼结果拟合/2509xx/{polarization}.txt\", \"r\", encoding=\"utf-8\", errors=\"ignore\") as f:\n", " lines = f.readlines()\n", " for site in range(0, 5):\n", " line = lines[site + 1]\n", " y_polarization.append(np.array([float(val) for val in line.strip().split()[1:]]))\n", " y.append(y_polarization)" ] }, { "cell_type": "code", "execution_count": 23, "id": "302ed63e", "metadata": {}, "outputs": [], "source": [ "fitting_init_parameter = [\n", " [300, 196, 1, 2e3, 204, 0.8, 0, 900],\n", " [50, 266, 5, 0, 100],\n", " [1e3, 611, 5, 0, 100],\n", " [1e4, 776, 1, 1e3, 797, 1, 1, 100]\n", "]\n", "fitting_range = [\n", " [180, 220],\n", " [250, 280],\n", " [600, 617],\n", " [700, 850]\n", "]\n", "fitting_bound = [\n", " ([0, 192, 0, 0, 200, 0, -np.inf, -np.inf], [np.inf, 198, np.inf, np.inf, 206, np.inf, np.inf, np.inf]),\n", " ([0, 260, 0, -np.inf, -np.inf], [np.inf, 270, np.inf, np.inf, np.inf]),\n", " ([0, 605, 0, -np.inf, -np.inf], [np.inf, 617, np.inf, np.inf, np.inf]),\n", " (-np.inf, np.inf)\n", "]\n", "# A1, x1, gamma1, A2, x2, gamma2, k, b):" ] }, { "cell_type": "code", "execution_count": 24, "id": "31cd9dcf", "metadata": {}, "outputs": [ { "data": { 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true, "ticks": "", "zerolinecolor": "white" } }, "shapedefaults": { "line": { "color": "#2a3f5f" } }, "ternary": { "aaxis": { "gridcolor": "white", "linecolor": "white", "ticks": "" }, "baxis": { "gridcolor": "white", "linecolor": "white", "ticks": "" }, "bgcolor": "#E5ECF6", "caxis": { "gridcolor": "white", "linecolor": "white", "ticks": "" } }, "title": { "x": 0.05 }, "xaxis": { "automargin": true, "gridcolor": "white", "linecolor": "white", "ticks": "", "title": { "standoff": 15 }, "zerolinecolor": "white", "zerolinewidth": 2 }, "yaxis": { "automargin": true, "gridcolor": "white", "linecolor": "white", "ticks": "", "title": { "standoff": 15 }, "zerolinecolor": "white", "zerolinewidth": 2 } } }, "width": 1920 } } }, "metadata": {}, "output_type": "display_data" } ], "source": [ "fig = go.Figure()\n", "for polarization in range(0, 2):\n", " for site in range(0, 5):\n", " fig.add_trace(go.Scatter(x=x, y=y[polarization][site], mode='lines', name=f'{polarization}-{site}', line=dict(color=matplotlib.colors.rgb2hex(plt.cm.rainbow(polarization / 4)))))\n", "fig.update_layout(width=1920, height=1080)\n", "fig.show()" ] }, { "cell_type": "code", "execution_count": 25, "id": "89017e8c", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "0 0\n", "[ 4.04298519e+03 7.76627798e+02 1.48709640e+00 6.50395525e+01\n", " 7.97843850e+02 1.08959039e+00 -1.17350342e-01 1.39882375e+02]\n", "0 1\n", "[ 3.97004453e+03 7.76617709e+02 1.49990243e+00 6.19617001e+01\n", " 7.97770080e+02 1.08052638e+00 -1.16814612e-01 1.38609507e+02]\n", "0 2\n", "[ 3.95325818e+03 7.76481622e+02 1.50350594e+00 6.44106850e+01\n", " 7.97640751e+02 1.04977911e+00 -1.15883218e-01 1.37489182e+02]\n", "0 3\n", "[ 3.94675103e+03 7.76611618e+02 1.51290287e+00 6.04627589e+01\n", " 7.97800065e+02 1.08652254e+00 -1.13043153e-01 1.35376071e+02]\n", "0 4\n", "[ 3.91096848e+03 7.76503106e+02 1.52143310e+00 6.25440358e+01\n", " 7.97757706e+02 1.04451801e+00 -1.13658138e-01 1.35660662e+02]\n", "1 0\n", "[ 2.12724722e+03 7.76619721e+02 1.47034966e+00 1.69781879e+01\n", " 7.97830949e+02 8.98041960e-01 -4.30514464e-02 6.15616159e+01]\n", "1 1\n", "[ 2.10819543e+03 7.76544275e+02 1.48030411e+00 1.89708722e+01\n", " 7.97706232e+02 8.45280281e-01 -4.17288529e-02 6.03429836e+01]\n", "1 2\n", "[ 2.06895301e+03 7.76630080e+02 1.48041798e+00 1.59783412e+01\n", " 7.97737701e+02 9.23215227e-01 -4.37332239e-02 6.17736883e+01]\n", "1 3\n", "[ 2.05905045e+03 7.76570336e+02 1.49001903e+00 1.40109625e+01\n", " 7.97637853e+02 8.46883340e-01 -4.38023792e-02 6.16796946e+01]\n", "1 4\n", "[ 2.06835236e+03 7.76582138e+02 1.47338667e+00 1.39811709e+01\n", " 7.97761443e+02 9.62365807e-01 -4.22521319e-02 6.04320192e+01]\n" ] } ], "source": [ "for polarization in range(0, 2):\n", " for site in range(0, 5):\n", " this_y = y[polarization][site]\n", " print(polarization, site)\n", " result = fitting_peek(x, this_y, fitting_range[3], double_lorentzian, fitting_init_parameter[3], fitting_bound[3])\n", " fig = go.Figure()\n", " fig.add_trace(go.Scatter(x=x, y=np.log10(this_y), mode='lines', name='data'))\n", " fig.add_trace(go.Scatter(x=x, y=np.log10(double_lorentzian(x, *result)), mode='lines', name='fit'))\n", " # fig.update_yaxes(range=[1, 4])\n", " # fig.show()\n", " print(result)" ] }, { "cell_type": "code", "execution_count": 27, "id": "994025fd", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[195.74499038 195.72751081 195.69088185 195.56108724 195.60930825] 0.07883519634332761\n", "[203.69312954 203.70292514 203.65777931 203.51178172 203.5930739 ] 0.07968547466686589\n", "[265.51498956 265.34562112 265.02752087 265.1836767 265.49747385] 0.20863466926211793\n", "[610.03510154 610.04077894 609.9883602 609.83106829 609.94906681] 0.08561375455706945\n", "[776.62779766 776.61770887 776.48162181 776.61161755 776.50310628] 0.07003735141112474\n", "[797.84384958 797.77007952 797.64075054 797.80006451 797.75770596] 0.07571692420696428\n", "[195.88923161 195.7165353 195.72019967 195.75663313 195.75657486] 0.07051629897388058\n", "[203.7699247 203.62415326 203.70247016 203.662546 203.65235561] 0.05646426328492\n", "[267.00451708 264.80948367 265.09899238 265.73974794 265.16526974] 0.8732824287583235\n", "[609.78779629 610.06728929 609.87819781 609.50922441 610.05177116] 0.22821400618228074\n", "[776.61972133 776.54427471 776.63007954 776.57033629 776.58213787] 0.03544934240511649\n", "[797.83094893 797.70623181 797.73770077 797.6378534 797.76144321] 0.07102406279121375\n", "[221.62536153 207.22222328 205.89737613 203.18139796 203.62466338] 7.624922995823503\n", "[1785.55331278 1768.9211898 1728.45606739 1719.25747527 1732.78155898] 28.64692602902089\n", "[17.47921555 29.29299237 31.41068249 18.97071029 19.61852143] 6.478076167409695\n", "[494.440323 489.47203631 492.40176897 482.65335307 490.85187249] 4.484865924684365\n", "[18888.22489738 18707.17711703 18672.83242918 18758.60984612\n", " 18693.34621647] 86.6037167244371\n", "[222.6335851 210.33355929 212.42504312 206.38425981 205.23513318] 6.9199828209150045\n", "[ 95.19127701 100.39689691 101.42260098 95.67656194 91.26070929] 4.148475976830612\n", "[890.97206636 900.41018918 878.0621046 867.76292985 856.95747985] 17.425635853978495\n", "[31.79088816 7.69838405 10.57296031 11.97320606 8.58264423] 10.016859515165324\n", "[24.11324184 20.80584378 25.3293863 35.50762114 29.17885855] 5.626235191384413\n", "[9826.26480179 9804.1892013 9622.43197282 9638.48273097 9573.94955053] 114.28857579249627\n", "[47.90025627 50.37765054 46.34304041 37.27704114 42.27013182] 5.1500543287964735\n" ] } ], "source": [ "# polarization site peek\n", "shift = np.empty((2, 5, 6))\n", "integration = np.empty((2, 5, 6))\n", "\n", "polarization = [ \"zyyz\", \"zyxz\" ]\n", "\n", "for p in range(0, 2):\n", " for s in range(0, 5):\n", " this_shift, this_integration = fitting_line(x, y[p][s])\n", " shift[p, s, :] = abs(np.array(this_shift))\n", " integration[p, s, :] = abs(np.array(this_integration))\n", "\n", "for p in range(0, 2):\n", " for pe in range(0, 6):\n", " print(shift[p, :, pe], np.std(shift[p, :, pe], ddof=1))\n", "for p in range(0, 2):\n", " for pe in range(0, 6):\n", " print(integration[p, :, pe], np.std(integration[p, :, pe], ddof=1))" ] }, { "cell_type": "code", "execution_count": 29, "id": "08cdfcb3", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[[195.66675571 203.63173792 265.31385642 609.96887516 776.56837043\n", " 797.76249002]\n", " [195.76783491 203.68228995 265.56360216 609.85885579 776.58930995\n", " 797.73483562]]\n", "[[2.08310204e+02 1.74699392e+03 2.33544244e+01 4.89963871e+02\n", " 1.87440381e+04 2.11402316e+02]\n", " [9.67896092e+01 8.78832954e+02 1.41236166e+01 2.69869903e+01\n", " 9.69306365e+03 4.48336240e+01]]\n" ] } ], "source": [ "shift_uniformed = np.empty((2, 6))\n", "integration_uniformed = np.empty((2, 6))\n", "\n", "for p in range(0, 2):\n", " for pe in range(0, 6):\n", " shift_uniformed[p, pe] = np.average(shift[p, :, pe])\n", " integration_uniformed[p, pe] = np.average(integration[p, :, pe])\n", "print(shift_uniformed)\n", "print(integration_uniformed)" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.12.10" } }, "nbformat": 4, "nbformat_minor": 5 }