1577 lines
865 KiBLFS
Plaintext
1577 lines
865 KiBLFS
Plaintext
{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": 13,
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"id": "172c8f75",
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"metadata": {},
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"outputs": [
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{
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"data": {
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"text/plain": [
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"'/home/chn/repo/SiC-2nd-paper'"
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]
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},
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"execution_count": 13,
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"metadata": {},
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"output_type": "execute_result"
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}
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],
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"source": [
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"import numpy as np\n",
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"from scipy.optimize import curve_fit\n",
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"import matplotlib.pyplot as plt\n",
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"import plotly.graph_objects as go\n",
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"import matplotlib\n",
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"\n",
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"def lorentzian(x, A, x0, gamma, k, b):\n",
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" return A / (1 + ((x - x0) / gamma)**2) + k * x + b\n",
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"def double_lorentzian(x, A1, x1, gamma1, A2, x2, gamma2, k, b):\n",
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" return lorentzian(x, A1, x1, gamma1, k, b) + lorentzian(x, A2, x2, gamma2, 0, 0)\n",
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"def triple_lorentzian(x, A1, x1, gamma1, A2, x2, gamma2, A3, x3, gamma3, k, b):\n",
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" return lorentzian(x, A1, x1, gamma1, k, b) + lorentzian(x, A2, x2, gamma2, 0, 0) + lorentzian(x, A3, x3, gamma3, 0, 0)\n",
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"%pwd"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 14,
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"id": "3d6acae4",
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"metadata": {},
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"outputs": [],
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"source": [
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"def fitting_peek(x, y, x_range, function, guess, bound):\n",
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" mask = (x > x_range[0]) & (x < x_range[1])\n",
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" x = x[mask]\n",
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" y = y[mask]\n",
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" popt, pcov = curve_fit(function, x, y, p0=guess, maxfev=10000, bounds=bound)\n",
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" return popt"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 15,
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"id": "32f145e5",
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"metadata": {},
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"outputs": [],
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"source": [
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"fitting_init_parameter = [\n",
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" [300, 196, 1, 2e3, 204, 0.8, 0, 900],\n",
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" [50, 266, 5, 0, 100],\n",
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" [1e3, 611, 5, 0, 100],\n",
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" [1e4, 776, 1, 1e3, 797, 1, 1, 100],\n",
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" [1e4, 776, 1, 1e4, 782, 1, 1e3, 797, 1, 1, 100],\n",
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" [1e4, 776, 1, 1, 100]\n",
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"]\n",
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"fitting_range = [\n",
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" [180, 220],\n",
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" [250, 280],\n",
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" [600, 617],\n",
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" [700, 850],\n",
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" [700, 850],\n",
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" [769, 783]\n",
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"]\n",
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"fitting_bound = [\n",
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" ([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",
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" ([0, 260, 0, -np.inf, -np.inf], [np.inf, 270, np.inf, np.inf, np.inf]),\n",
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" ([0, 605, 0, -np.inf, -np.inf], [np.inf, 617, np.inf, np.inf, np.inf]),\n",
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" (-np.inf, np.inf),\n",
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" (-np.inf, np.inf),\n",
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" (-np.inf, np.inf)\n",
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"]"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 16,
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"id": "4dd7c5fd",
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"metadata": {},
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"outputs": [
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{
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"data": {
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"application/vnd.plotly.v1+json": {
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"config": {
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"plotlyServerURL": "https://plot.ly"
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},
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"data": [
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{
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"mode": "lines",
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"name": "zyyz 0 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 0 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 1 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 1 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 2 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 2 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 3 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 3 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 4 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 4 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 5 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 5 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 6 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 6 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 7 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 7 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 8 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 8 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 9 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "zyyz 9 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 0 0",
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"type": "scatter",
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"x": {
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}
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},
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{
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"x": {
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"dtype": "f8"
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},
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"y": {
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}
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},
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{
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 1 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 2 0",
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 2 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 3 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 3 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 4 0",
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"type": "scatter",
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 4 1",
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"type": "scatter",
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 5 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 5 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 6 0",
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"type": "scatter",
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"x": {
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}
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},
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{
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"name": "xyyx 6 1",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 7 0",
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"type": "scatter",
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"x": {
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 7 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 8 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 8 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 9 0",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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}
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},
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{
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"mode": "lines",
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"name": "xyyx 9 1",
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"type": "scatter",
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"x": {
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"dtype": "f8"
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},
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"y": {
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"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": [
|
|
"polarizations = [ \"zyyz\", \"xyyx\" ]\n",
|
|
"x = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
|
|
"y = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
|
|
"for h, h_name in enumerate([ \"前\", \"后\" ]):\n",
|
|
" with open(f'画图/拉曼结果拟合/250923/1/{h_name}半.txt', 'r') as f:\n",
|
|
" lines = f.readlines()\n",
|
|
" for s in range(10):\n",
|
|
" x[\"zyyz\"][s][h] = np.array([float(i) for i in lines[0].strip().split()])\n",
|
|
" y[\"zyyz\"][s][h] = np.array([float(i) for i in lines[s+1].strip().split()[1:]])\n",
|
|
"for s in range(10):\n",
|
|
" for h, h_name in enumerate([ \"前\", \"后\" ]):\n",
|
|
" with open(f'画图/拉曼结果拟合/250923/2/{s+1}{h_name}半.txt', 'r') as f:\n",
|
|
" data = np.loadtxt(f)\n",
|
|
" x[\"xyyx\"][s][h] = data[:,0]\n",
|
|
" y[\"xyyx\"][s][h] = data[:,1]\n",
|
|
"# xyyx 第 9 个数据异常，使用第 11 个替换\n",
|
|
"for h, h_name in enumerate([ \"前\", \"后\" ]):\n",
|
|
" with open(f'画图/拉曼结果拟合/250923/2/11{h_name}半.txt', 'r') as f:\n",
|
|
" data = np.loadtxt(f)\n",
|
|
" x[\"xyyx\"][8][h] = data[:,0]\n",
|
|
" y[\"xyyx\"][8][h] = data[:,1]\n",
|
|
"fig = go.Figure()\n",
|
|
"for p in polarizations:\n",
|
|
" for s in range(10):\n",
|
|
" for h in range(2):\n",
|
|
" fig.add_trace(go.Scatter(x=x[p][s][h], y=y[p][s][h], mode='lines', name=f'{p} {s} {h}'))\n",
|
|
"fig.update_layout(width=1920, height=1080)\n",
|
|
"fig.show()"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 17,
|
|
"id": "371a2472",
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"zyyz 0 0 609.7769264446152\n",
|
|
"zyyz 0 1 609.8425124287717\n",
|
|
"zyyz 1 0 609.7879349007401\n",
|
|
"zyyz 1 1 609.8725594333473\n",
|
|
"zyyz 2 0 609.7923067476482\n",
|
|
"zyyz 2 1 609.9152330217634\n",
|
|
"zyyz 3 0 609.7900467664512\n",
|
|
"zyyz 3 1 609.9192260395312\n",
|
|
"zyyz 4 0 609.790298067011\n",
|
|
"zyyz 4 1 609.9031612580816\n",
|
|
"zyyz 5 0 609.7951338864971\n",
|
|
"zyyz 5 1 609.9271503699507\n",
|
|
"zyyz 6 0 609.7902776761968\n",
|
|
"zyyz 6 1 609.9179188741397\n",
|
|
"zyyz 7 0 609.7837627158226\n",
|
|
"zyyz 7 1 609.9386243422217\n",
|
|
"zyyz 8 0 609.8043861594849\n",
|
|
"zyyz 8 1 609.9430572359531\n",
|
|
"zyyz 9 0 609.7722187961788\n",
|
|
"zyyz 9 1 609.8984660899182\n",
|
|
"xyyx 0 0 609.3560499967953\n",
|
|
"xyyx 0 1 609.3941039878403\n",
|
|
"xyyx 1 0 609.3126333798893\n",
|
|
"xyyx 1 1 609.3219080454271\n",
|
|
"xyyx 2 0 609.2822318138416\n",
|
|
"xyyx 2 1 609.2840299432406\n",
|
|
"xyyx 3 0 609.2919046207884\n",
|
|
"xyyx 3 1 609.2265014328693\n",
|
|
"xyyx 4 0 609.3963803234666\n",
|
|
"xyyx 4 1 609.23494096793\n",
|
|
"xyyx 5 0 609.0824590602223\n",
|
|
"xyyx 5 1 609.1610090035532\n",
|
|
"xyyx 6 0 609.0126554211807\n",
|
|
"xyyx 6 1 609.1833015514956\n",
|
|
"xyyx 7 0 608.8800872445057\n",
|
|
"xyyx 7 1 608.9021817201975\n",
|
|
"xyyx 8 0 608.7523339496721\n",
|
|
"xyyx 8 1 608.6685438872831\n",
|
|
"xyyx 9 0 608.7494231706672\n",
|
|
"xyyx 9 1 608.6499915512978\n",
|
|
"zyyz 0 776.584443054473\n",
|
|
"zyyz 1 776.611870498824\n",
|
|
"zyyz 2 776.6380068972935\n",
|
|
"zyyz 3 776.6651535668758\n",
|
|
"zyyz 4 776.6354448297485\n",
|
|
"zyyz 5 776.6664662318499\n",
|
|
"zyyz 6 776.6654439570513\n",
|
|
"zyyz 7 776.6707133127164\n",
|
|
"zyyz 8 776.6771500918801\n",
|
|
"zyyz 9 776.6434950194752\n",
|
|
"xyyx 0 776.3971505892172\n",
|
|
"xyyx 1 776.3188726090846\n",
|
|
"xyyx 2 776.3020119030188\n",
|
|
"xyyx 3 776.2451084596499\n",
|
|
"xyyx 4 776.2482381429528\n",
|
|
"xyyx 5 776.1602173496836\n",
|
|
"xyyx 6 776.2033791324357\n",
|
|
"xyyx 7 775.9267272824958\n",
|
|
"xyyx 8 775.6985750108038\n",
|
|
"xyyx 9 775.6785939202846\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"A11_shift = {p: [[None for h in range(2)] for s in range(10)] for p in polarizations}\n",
|
|
"for p in polarizations:\n",
|
|
" for s in range(10):\n",
|
|
" for h in range(2):\n",
|
|
" popt = fitting_peek(np.array(x[p][s][h]), np.array(y[p][s][h]), fitting_range[2], lorentzian, fitting_init_parameter[2], fitting_bound[2])\n",
|
|
" A11_shift[p][s][h] = popt[1]\n",
|
|
" print(f'{p} {s} {h} {A11_shift[p][s][h]}')\n",
|
|
" if A11_shift[p][s][h] < 608 or A11_shift[p][s][h] > 610:\n",
|
|
" print(error)\n",
|
|
"E23_shift = {p: [None for s in range(10)] for p in polarizations}\n",
|
|
"for p in [ \"zyyz\" ]:\n",
|
|
" for s in range(10):\n",
|
|
" popt = fitting_peek(np.array(x[p][s][1]), np.array(y[p][s][1]), fitting_range[3], double_lorentzian, fitting_init_parameter[3], fitting_bound[3])\n",
|
|
" E23_shift[p][s] = popt[1]\n",
|
|
" print(f'{p} {s} {E23_shift[p][s]}')\n",
|
|
" if E23_shift[p][s] < 775 or E23_shift[p][s] > 777:\n",
|
|
" print(error)\n",
|
|
"for p in [ \"xyyx\" ]:\n",
|
|
" for s in range(10):\n",
|
|
" popt = fitting_peek(np.array(x[p][s][1]), np.array(y[p][s][1]), fitting_range[4], triple_lorentzian, fitting_init_parameter[4], fitting_bound[4])\n",
|
|
" E23_shift[p][s] = popt[1]\n",
|
|
" print(f'{p} {s} {E23_shift[p][s]}')\n",
|
|
" if E23_shift[p][s] < 775 or E23_shift[p][s] > 777:\n",
|
|
" print(error)"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 18,
|
|
"id": "d6e28c58",
|
|
"metadata": {},
|
|
"outputs": [],
|
|
"source": [
|
|
"# 将 E2-3 对齐到 776.5，将前半段使用 A1-1 的位移进行平移\n",
|
|
"x_combined = {p: [None for s in range(10)] for p in polarizations}\n",
|
|
"y_combined = {p: [None for s in range(10)] for p in polarizations}\n",
|
|
"for p in polarizations:\n",
|
|
" for s in range(10):\n",
|
|
" x_combined[p][s] = np.concatenate(((x[p][s][0] - A11_shift[p][s][0] + A11_shift[p][s][1] - E23_shift[p][s] + 776.5)[:852], x[p][s][1] - E23_shift[p][s] + 776.5))\n",
|
|
" y_combined[p][s] = np.concatenate((y[p][s][0][:852], y[p][s][1]))\n",
|
|
"for p in polarizations:\n",
|
|
" np.savetxt(f'画图/拉曼结果拟合/combined/substrate/{p}_x.txt', x_combined[p], fmt='%.6f')\n",
|
|
" np.savetxt(f'画图/拉曼结果拟合/combined/substrate/{p}_y.txt', y_combined[p], fmt='%.6f')"
|
|
]
|
|
}
|
|
],
|
|
"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": "3.13.8"
|
|
}
|
|
},
|
|
"nbformat": 4,
|
|
"nbformat_minor": 5
|
|
}
|