{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "## reference:\n", "\n", "If you use this code for a publication, please reference as: \n", "arXiv:2008.04626: https://arxiv.org/abs/2008.04626" ] }, { "cell_type": "code", "execution_count": 8, "metadata": {}, "outputs": [], "source": [ "%matplotlib notebook\n", "\n", "import sys\n", "import os \n", "import matplotlib.pyplot as plt\n", "import numpy as np\n", "import scipy as scp\n", "from scipy import *\n", "from scipy import fftpack\n", "import scipy.optimize as optimize\n", "import scipy.signal.windows as fft_windows\n", "from pylab import *\n", "import time" ] }, { "cell_type": "code", "execution_count": 9, "metadata": {}, "outputs": [], "source": [ "def XRR(data, crit_ang):\n", " \"\"\"\n", " Returns equally spaced data for the Fourier analysis of a typical XRR dataset.\n", " Data must be an array with 2 Theta angle in the first column and the intensity in the second column\n", " \"\"\"\n", "\n", " # rescale x-axis to get at the end nm from the FFT (introduce diffraction vector: s_cor)\n", " s_cor = 2*np.sqrt((np.cos(np.pi*crit_ang/2/180))**2 -\n", " (np.cos(np.pi*data[:, 0]/2/180))**2)/0.152\n", "\n", " # mask all entrys which are 'nan' due to values below the critical angle\n", " mask = np.logical_not(np.isnan(s_cor))\n", " s_cor = s_cor[mask]\n", "\n", " # subtract a background of 'theta^4 * intensity'\n", " intensity = s_cor**4*data[mask, 1]\n", "\n", " # create new x wave with even spacing going from the lowest\n", " # to the highest diffraction vector\n", " x = np.linspace(s_cor.min(), s_cor.max(), 1000)\n", " f = scp.interpolate.interp1d(s_cor, intensity, kind='cubic')\n", " return x, f(x)\n", "\n", "def FFT(x, y, d=None, window=2, n=None):\n", " \"\"\"\n", " Performs a (real) FFT using no window (0), a hanning (1), a hamming (2) or flattop (otherwise) window.\n", " d is data spacing; if no d is given, the spacing of the first two data values in x is taken\n", " x data have to be equaly spaced!\n", " n = number of values taken into account, if nlen(y): data are zero-padded\n", " returns only one half of the full FFT (1st quadrant)\n", " \"\"\"\n", " if d is None:\n", " d = (x[1]-x[0])\n", " N = len(y)\n", " # declaration of window functions\n", " if 0 == window:\n", " window = np.ones(N)\n", " elif 1 == window:\n", " window = fft_windows.hann(N)\n", " elif 2 == window:\n", " window = fft_windows.hamming(N)\n", " else:\n", " window = fft_windows.flattop(N)\n", " if n is None:\n", " n = N\n", " # calculate fft with all correction factors:\n", " # 2/N: up front to renormalize the FFT\n", " # mean(window): window correction factor\n", " yf = 2/N*np.abs(scp.fftpack.fft(window*y/np.mean(window), n=n))\n", " # Calculate the frequency axis\n", " xf = scp.fftpack.fftfreq(n, d=d)\n", " return xf[:n//2], yf[:n//2]" ] }, { "cell_type": "code", "execution_count": 10, "metadata": {}, "outputs": [], "source": [ "y40 = genfromtxt('ml20191202b_2.xy')" ] }, { "cell_type": "code", "execution_count": 11, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ ":8: RuntimeWarning: invalid value encountered in sqrt\n", " s_cor = 2*np.sqrt((np.cos(np.pi*crit_ang/2/180))**2 -\n" ] }, { "data": { "application/javascript": [ "/* Put everything inside the global mpl namespace */\n", "/* global mpl */\n", "window.mpl = {};\n", "\n", "mpl.get_websocket_type = function () {\n", " if (typeof WebSocket !== 'undefined') {\n", " return WebSocket;\n", " } else if (typeof MozWebSocket !== 'undefined') {\n", " return MozWebSocket;\n", " } else {\n", " alert(\n", " 'Your browser does not have WebSocket support. ' +\n", " 'Please try Chrome, Safari or Firefox ≥ 6. ' +\n", " 'Firefox 4 and 5 are also supported but you ' +\n", " 'have to enable WebSockets in about:config.'\n", " );\n", " }\n", "};\n", "\n", "mpl.figure = function (figure_id, websocket, ondownload, parent_element) {\n", " this.id = figure_id;\n", "\n", " this.ws = websocket;\n", "\n", " this.supports_binary = this.ws.binaryType !== undefined;\n", "\n", " if (!this.supports_binary) {\n", " var warnings = document.getElementById('mpl-warnings');\n", " if (warnings) {\n", " warnings.style.display = 'block';\n", " warnings.textContent =\n", " 'This browser does not support binary websocket messages. ' +\n", " 'Performance may be slow.';\n", " }\n", " }\n", "\n", " this.imageObj = new Image();\n", "\n", " this.context = undefined;\n", " this.message = undefined;\n", " this.canvas = undefined;\n", " this.rubberband_canvas = undefined;\n", " this.rubberband_context = undefined;\n", " this.format_dropdown = undefined;\n", "\n", " this.image_mode = 'full';\n", "\n", " this.root = document.createElement('div');\n", " this.root.setAttribute('style', 'display: inline-block');\n", " this._root_extra_style(this.root);\n", "\n", " parent_element.appendChild(this.root);\n", "\n", " this._init_header(this);\n", " this._init_canvas(this);\n", " this._init_toolbar(this);\n", "\n", " var fig = this;\n", "\n", " this.waiting = false;\n", "\n", " this.ws.onopen = function () {\n", " fig.send_message('supports_binary', { value: fig.supports_binary });\n", " fig.send_message('send_image_mode', {});\n", " if (fig.ratio !== 1) {\n", " fig.send_message('set_dpi_ratio', { dpi_ratio: fig.ratio });\n", " }\n", " fig.send_message('refresh', {});\n", " };\n", "\n", " this.imageObj.onload = function () {\n", " if (fig.image_mode === 'full') {\n", " // Full images could contain transparency (where diff images\n", " // almost always do), so we need to clear the canvas so that\n", " // there is no ghosting.\n", " fig.context.clearRect(0, 0, fig.canvas.width, fig.canvas.height);\n", " }\n", " fig.context.drawImage(fig.imageObj, 0, 0);\n", " };\n", "\n", " this.imageObj.onunload = function () {\n", " fig.ws.close();\n", " };\n", "\n", " this.ws.onmessage = this._make_on_message_function(this);\n", "\n", " this.ondownload = ondownload;\n", "};\n", "\n", "mpl.figure.prototype._init_header = function () {\n", " var titlebar = document.createElement('div');\n", " titlebar.classList =\n", " 'ui-dialog-titlebar ui-widget-header ui-corner-all ui-helper-clearfix';\n", " var titletext = document.createElement('div');\n", " titletext.classList = 'ui-dialog-title';\n", " titletext.setAttribute(\n", " 'style',\n", " 'width: 100%; text-align: center; padding: 3px;'\n", " );\n", " titlebar.appendChild(titletext);\n", " this.root.appendChild(titlebar);\n", " this.header = titletext;\n", "};\n", "\n", "mpl.figure.prototype._canvas_extra_style = function (_canvas_div) {};\n", "\n", "mpl.figure.prototype._root_extra_style = function (_canvas_div) {};\n", "\n", "mpl.figure.prototype._init_canvas = function () {\n", " var fig = this;\n", "\n", " var canvas_div = (this.canvas_div = document.createElement('div'));\n", " canvas_div.setAttribute(\n", " 'style',\n", " 'border: 1px solid #ddd;' +\n", " 'box-sizing: content-box;' +\n", " 'clear: both;' +\n", " 'min-height: 1px;' +\n", " 'min-width: 1px;' +\n", " 'outline: 0;' +\n", " 'overflow: hidden;' +\n", " 'position: relative;' +\n", " 'resize: both;'\n", " );\n", "\n", " function on_keyboard_event_closure(name) {\n", " return function (event) {\n", " return fig.key_event(event, name);\n", " };\n", " }\n", "\n", " canvas_div.addEventListener(\n", " 'keydown',\n", " on_keyboard_event_closure('key_press')\n", " );\n", " canvas_div.addEventListener(\n", " 'keyup',\n", " on_keyboard_event_closure('key_release')\n", " );\n", "\n", " this._canvas_extra_style(canvas_div);\n", " this.root.appendChild(canvas_div);\n", "\n", " var canvas = (this.canvas = document.createElement('canvas'));\n", " canvas.classList.add('mpl-canvas');\n", " canvas.setAttribute('style', 'box-sizing: content-box;');\n", "\n", " this.context = canvas.getContext('2d');\n", "\n", " var backingStore =\n", " this.context.backingStorePixelRatio ||\n", " this.context.webkitBackingStorePixelRatio ||\n", " this.context.mozBackingStorePixelRatio ||\n", " this.context.msBackingStorePixelRatio ||\n", " this.context.oBackingStorePixelRatio ||\n", " this.context.backingStorePixelRatio ||\n", " 1;\n", "\n", " this.ratio = (window.devicePixelRatio || 1) / backingStore;\n", " if (this.ratio !== 1) {\n", " fig.send_message('set_dpi_ratio', { dpi_ratio: this.ratio });\n", " }\n", "\n", " var rubberband_canvas = (this.rubberband_canvas = document.createElement(\n", " 'canvas'\n", " ));\n", " rubberband_canvas.setAttribute(\n", " 'style',\n", " 'box-sizing: content-box; position: absolute; left: 0; top: 0; z-index: 1;'\n", " );\n", "\n", " var resizeObserver = new ResizeObserver(function (entries) {\n", " var nentries = entries.length;\n", " for (var i = 0; i < nentries; i++) {\n", " var entry = entries[i];\n", " var width, height;\n", " if (entry.contentBoxSize) {\n", " if (entry.contentBoxSize instanceof Array) {\n", " // Chrome 84 implements new version of spec.\n", " width = entry.contentBoxSize[0].inlineSize;\n", " height = entry.contentBoxSize[0].blockSize;\n", " } else {\n", " // Firefox implements old version of spec.\n", " width = entry.contentBoxSize.inlineSize;\n", " height = entry.contentBoxSize.blockSize;\n", " }\n", " } else {\n", " // Chrome <84 implements even older version of spec.\n", " width = entry.contentRect.width;\n", " height = entry.contentRect.height;\n", " }\n", "\n", " // Keep the size of the canvas and rubber band canvas in sync with\n", " // the canvas container.\n", " if (entry.devicePixelContentBoxSize) {\n", " // Chrome 84 implements new version of spec.\n", " canvas.setAttribute(\n", " 'width',\n", " entry.devicePixelContentBoxSize[0].inlineSize\n", " );\n", " canvas.setAttribute(\n", " 'height',\n", " entry.devicePixelContentBoxSize[0].blockSize\n", " );\n", " } else {\n", " canvas.setAttribute('width', width * fig.ratio);\n", " canvas.setAttribute('height', height * fig.ratio);\n", " }\n", " canvas.setAttribute(\n", " 'style',\n", " 'width: ' + width + 'px; height: ' + height + 'px;'\n", " );\n", "\n", " rubberband_canvas.setAttribute('width', width);\n", " rubberband_canvas.setAttribute('height', height);\n", "\n", " // And update the size in Python. We ignore the initial 0/0 size\n", " // that occurs as the element is placed into the DOM, which should\n", " // otherwise not happen due to the minimum size styling.\n", " if (width != 0 && height != 0) {\n", " fig.request_resize(width, height);\n", " }\n", " }\n", " });\n", " resizeObserver.observe(canvas_div);\n", "\n", " function on_mouse_event_closure(name) {\n", " return function (event) {\n", " return fig.mouse_event(event, name);\n", " };\n", " }\n", "\n", " rubberband_canvas.addEventListener(\n", " 'mousedown',\n", " on_mouse_event_closure('button_press')\n", " );\n", " rubberband_canvas.addEventListener(\n", " 'mouseup',\n", " on_mouse_event_closure('button_release')\n", " );\n", " // Throttle sequential mouse events to 1 every 20ms.\n", " rubberband_canvas.addEventListener(\n", " 'mousemove',\n", " on_mouse_event_closure('motion_notify')\n", " );\n", "\n", " rubberband_canvas.addEventListener(\n", " 'mouseenter',\n", " on_mouse_event_closure('figure_enter')\n", " );\n", " rubberband_canvas.addEventListener(\n", " 'mouseleave',\n", " on_mouse_event_closure('figure_leave')\n", " );\n", "\n", " canvas_div.addEventListener('wheel', function (event) {\n", " if (event.deltaY < 0) {\n", " event.step = 1;\n", " } else {\n", " event.step = -1;\n", " }\n", " on_mouse_event_closure('scroll')(event);\n", " });\n", "\n", " canvas_div.appendChild(canvas);\n", " canvas_div.appendChild(rubberband_canvas);\n", "\n", " this.rubberband_context = rubberband_canvas.getContext('2d');\n", " this.rubberband_context.strokeStyle = '#000000';\n", "\n", " this._resize_canvas = function (width, height, forward) {\n", " if (forward) {\n", " canvas_div.style.width = width + 'px';\n", " canvas_div.style.height = height + 'px';\n", " }\n", " };\n", "\n", " // Disable right mouse context menu.\n", " this.rubberband_canvas.addEventListener('contextmenu', function (_e) {\n", " event.preventDefault();\n", " return false;\n", " });\n", "\n", " function set_focus() {\n", " canvas.focus();\n", " canvas_div.focus();\n", " }\n", "\n", " window.setTimeout(set_focus, 100);\n", "};\n", "\n", "mpl.figure.prototype._init_toolbar = function () {\n", " var fig = this;\n", "\n", " var toolbar = document.createElement('div');\n", " toolbar.classList = 'mpl-toolbar';\n", " this.root.appendChild(toolbar);\n", "\n", " function on_click_closure(name) {\n", " return function (_event) {\n", " return fig.toolbar_button_onclick(name);\n", " };\n", " }\n", "\n", " function on_mouseover_closure(tooltip) {\n", " return function (event) {\n", " if (!event.currentTarget.disabled) {\n", " return fig.toolbar_button_onmouseover(tooltip);\n", " }\n", " };\n", " }\n", "\n", " fig.buttons = {};\n", " var buttonGroup = document.createElement('div');\n", " buttonGroup.classList = 'mpl-button-group';\n", " for (var toolbar_ind in mpl.toolbar_items) {\n", " var name = mpl.toolbar_items[toolbar_ind][0];\n", " var tooltip = mpl.toolbar_items[toolbar_ind][1];\n", " var image = mpl.toolbar_items[toolbar_ind][2];\n", " var method_name = mpl.toolbar_items[toolbar_ind][3];\n", "\n", " if (!name) {\n", " /* Instead of a spacer, we start a new button group. */\n", " if (buttonGroup.hasChildNodes()) {\n", " toolbar.appendChild(buttonGroup);\n", " }\n", " buttonGroup = document.createElement('div');\n", " buttonGroup.classList = 'mpl-button-group';\n", " continue;\n", " }\n", "\n", " var button = (fig.buttons[name] = document.createElement('button'));\n", " button.classList = 'mpl-widget';\n", " button.setAttribute('role', 'button');\n", " button.setAttribute('aria-disabled', 'false');\n", " button.addEventListener('click', on_click_closure(method_name));\n", " button.addEventListener('mouseover', on_mouseover_closure(tooltip));\n", "\n", " var icon_img = document.createElement('img');\n", " icon_img.src = '_images/' + image + '.png';\n", " icon_img.srcset = '_images/' + image + '_large.png 2x';\n", " icon_img.alt = tooltip;\n", " button.appendChild(icon_img);\n", "\n", " buttonGroup.appendChild(button);\n", " }\n", "\n", " if (buttonGroup.hasChildNodes()) {\n", " toolbar.appendChild(buttonGroup);\n", " }\n", "\n", " var fmt_picker = document.createElement('select');\n", " fmt_picker.classList = 'mpl-widget';\n", " toolbar.appendChild(fmt_picker);\n", " this.format_dropdown = fmt_picker;\n", "\n", " for (var ind in mpl.extensions) {\n", " var fmt = mpl.extensions[ind];\n", " var option = document.createElement('option');\n", " option.selected = fmt === mpl.default_extension;\n", " option.innerHTML = fmt;\n", " fmt_picker.appendChild(option);\n", " }\n", "\n", " var status_bar = document.createElement('span');\n", " status_bar.classList = 'mpl-message';\n", " toolbar.appendChild(status_bar);\n", " this.message = status_bar;\n", "};\n", "\n", "mpl.figure.prototype.request_resize = function (x_pixels, y_pixels) {\n", " // Request matplotlib to resize the figure. Matplotlib will then trigger a resize in the client,\n", " // which will in turn request a refresh of the image.\n", " this.send_message('resize', { width: x_pixels, height: y_pixels });\n", "};\n", "\n", "mpl.figure.prototype.send_message = function (type, properties) {\n", " properties['type'] = type;\n", " properties['figure_id'] = this.id;\n", " this.ws.send(JSON.stringify(properties));\n", "};\n", "\n", "mpl.figure.prototype.send_draw_message = function () {\n", " if (!this.waiting) {\n", " this.waiting = true;\n", " this.ws.send(JSON.stringify({ type: 'draw', figure_id: this.id }));\n", " }\n", "};\n", "\n", "mpl.figure.prototype.handle_save = function (fig, _msg) {\n", " var format_dropdown = fig.format_dropdown;\n", " var format = format_dropdown.options[format_dropdown.selectedIndex].value;\n", " fig.ondownload(fig, format);\n", "};\n", "\n", "mpl.figure.prototype.handle_resize = function (fig, msg) {\n", " var size = msg['size'];\n", " if (size[0] !== fig.canvas.width || size[1] !== fig.canvas.height) {\n", " fig._resize_canvas(size[0], size[1], msg['forward']);\n", " fig.send_message('refresh', {});\n", " }\n", "};\n", "\n", "mpl.figure.prototype.handle_rubberband = function (fig, msg) {\n", " var x0 = msg['x0'] / fig.ratio;\n", " var y0 = (fig.canvas.height - msg['y0']) / fig.ratio;\n", " var x1 = msg['x1'] / fig.ratio;\n", " var y1 = (fig.canvas.height - msg['y1']) / fig.ratio;\n", " x0 = Math.floor(x0) + 0.5;\n", " y0 = Math.floor(y0) + 0.5;\n", " x1 = Math.floor(x1) + 0.5;\n", " y1 = Math.floor(y1) + 0.5;\n", " var min_x = Math.min(x0, x1);\n", " var min_y = Math.min(y0, y1);\n", " var width = Math.abs(x1 - x0);\n", " var height = Math.abs(y1 - y0);\n", "\n", " fig.rubberband_context.clearRect(\n", " 0,\n", " 0,\n", " fig.canvas.width / fig.ratio,\n", " fig.canvas.height / fig.ratio\n", " );\n", "\n", " fig.rubberband_context.strokeRect(min_x, min_y, width, height);\n", "};\n", "\n", "mpl.figure.prototype.handle_figure_label = function (fig, msg) {\n", " // Updates the figure title.\n", " fig.header.textContent = msg['label'];\n", "};\n", "\n", "mpl.figure.prototype.handle_cursor = function (fig, msg) {\n", " var cursor = msg['cursor'];\n", " switch (cursor) {\n", " case 0:\n", " cursor = 'pointer';\n", " break;\n", " case 1:\n", " cursor = 'default';\n", " break;\n", " case 2:\n", " cursor = 'crosshair';\n", " break;\n", " case 3:\n", " cursor = 'move';\n", " break;\n", " }\n", " fig.rubberband_canvas.style.cursor = cursor;\n", "};\n", "\n", "mpl.figure.prototype.handle_message = function (fig, msg) {\n", " fig.message.textContent = msg['message'];\n", "};\n", "\n", "mpl.figure.prototype.handle_draw = function (fig, _msg) {\n", " // Request the server to send over a new figure.\n", " fig.send_draw_message();\n", "};\n", "\n", "mpl.figure.prototype.handle_image_mode = function (fig, msg) {\n", " fig.image_mode = msg['mode'];\n", "};\n", "\n", "mpl.figure.prototype.handle_history_buttons = function (fig, msg) {\n", " for (var key in msg) {\n", " if (!(key in fig.buttons)) {\n", " continue;\n", " }\n", " fig.buttons[key].disabled = !msg[key];\n", " fig.buttons[key].setAttribute('aria-disabled', !msg[key]);\n", " }\n", "};\n", "\n", "mpl.figure.prototype.handle_navigate_mode = function (fig, msg) {\n", " if (msg['mode'] === 'PAN') {\n", " fig.buttons['Pan'].classList.add('active');\n", " fig.buttons['Zoom'].classList.remove('active');\n", " } else if (msg['mode'] === 'ZOOM') {\n", " fig.buttons['Pan'].classList.remove('active');\n", " fig.buttons['Zoom'].classList.add('active');\n", " } else {\n", " fig.buttons['Pan'].classList.remove('active');\n", " fig.buttons['Zoom'].classList.remove('active');\n", " }\n", "};\n", "\n", "mpl.figure.prototype.updated_canvas_event = function () {\n", " // Called whenever the canvas gets updated.\n", " this.send_message('ack', {});\n", "};\n", "\n", "// A function to construct a web socket function for onmessage handling.\n", "// Called in the figure constructor.\n", "mpl.figure.prototype._make_on_message_function = function (fig) {\n", " return function socket_on_message(evt) {\n", " if (evt.data instanceof Blob) {\n", " /* FIXME: We get \"Resource interpreted as Image but\n", " * transferred with MIME type text/plain:\" errors on\n", " * Chrome. But how to set the MIME type? It doesn't seem\n", " * to be part of the websocket stream */\n", " evt.data.type = 'image/png';\n", "\n", " /* Free the memory for the previous frames */\n", " if (fig.imageObj.src) {\n", " (window.URL || window.webkitURL).revokeObjectURL(\n", " fig.imageObj.src\n", " );\n", " }\n", "\n", " fig.imageObj.src = (window.URL || window.webkitURL).createObjectURL(\n", " evt.data\n", " );\n", " fig.updated_canvas_event();\n", " fig.waiting = false;\n", " return;\n", " } else if (\n", " typeof evt.data === 'string' &&\n", " evt.data.slice(0, 21) === 'data:image/png;base64'\n", " ) {\n", " fig.imageObj.src = evt.data;\n", " fig.updated_canvas_event();\n", " fig.waiting = false;\n", " return;\n", " }\n", "\n", " var msg = JSON.parse(evt.data);\n", " var msg_type = msg['type'];\n", "\n", " // Call the \"handle_{type}\" callback, which takes\n", " // the figure and JSON message as its only arguments.\n", " try {\n", " var callback = fig['handle_' + msg_type];\n", " } catch (e) {\n", " console.log(\n", " \"No handler for the '\" + msg_type + \"' message type: \",\n", " msg\n", " );\n", " return;\n", " }\n", "\n", " if (callback) {\n", " try {\n", " // console.log(\"Handling '\" + msg_type + \"' message: \", msg);\n", " callback(fig, msg);\n", " } catch (e) {\n", " console.log(\n", " \"Exception inside the 'handler_\" + msg_type + \"' callback:\",\n", " e,\n", " e.stack,\n", " msg\n", " );\n", " }\n", " }\n", " };\n", "};\n", "\n", "// from http://stackoverflow.com/questions/1114465/getting-mouse-location-in-canvas\n", "mpl.findpos = function (e) {\n", " //this section is from http://www.quirksmode.org/js/events_properties.html\n", " var targ;\n", " if (!e) {\n", " e = window.event;\n", " }\n", " if (e.target) {\n", " targ = e.target;\n", " } else if (e.srcElement) {\n", " targ = e.srcElement;\n", " }\n", " if (targ.nodeType === 3) {\n", " // defeat Safari bug\n", " targ = targ.parentNode;\n", " }\n", "\n", " // pageX,Y are the mouse positions relative to the document\n", " var boundingRect = targ.getBoundingClientRect();\n", " var x = e.pageX - (boundingRect.left + document.body.scrollLeft);\n", " var y = e.pageY - (boundingRect.top + document.body.scrollTop);\n", "\n", " return { x: x, y: y };\n", "};\n", "\n", "/*\n", " * return a copy of an object with only non-object keys\n", " * we need this to avoid circular references\n", " * http://stackoverflow.com/a/24161582/3208463\n", " */\n", "function simpleKeys(original) {\n", " return Object.keys(original).reduce(function (obj, key) {\n", " if (typeof original[key] !== 'object') {\n", " obj[key] = original[key];\n", " }\n", " return obj;\n", " }, {});\n", "}\n", "\n", "mpl.figure.prototype.mouse_event = function (event, name) {\n", " var canvas_pos = mpl.findpos(event);\n", "\n", " if (name === 'button_press') {\n", " this.canvas.focus();\n", " this.canvas_div.focus();\n", " }\n", "\n", " var x = canvas_pos.x * this.ratio;\n", " var y = canvas_pos.y * this.ratio;\n", "\n", " this.send_message(name, {\n", " x: x,\n", " y: y,\n", " button: event.button,\n", " step: event.step,\n", " guiEvent: simpleKeys(event),\n", " });\n", "\n", " /* This prevents the web browser from automatically changing to\n", " * the text insertion cursor when the button is pressed. We want\n", " * to control all of the cursor setting manually through the\n", " * 'cursor' event from matplotlib */\n", " event.preventDefault();\n", " return false;\n", "};\n", "\n", "mpl.figure.prototype._key_event_extra = function (_event, _name) {\n", " // Handle any extra behaviour associated with a key event\n", "};\n", "\n", "mpl.figure.prototype.key_event = function (event, name) {\n", " // Prevent repeat events\n", " if (name === 'key_press') {\n", " if (event.which === this._key) {\n", " return;\n", " } else {\n", " this._key = event.which;\n", " }\n", " }\n", " if (name === 'key_release') {\n", " this._key = null;\n", " }\n", "\n", " var value = '';\n", " if (event.ctrlKey && event.which !== 17) {\n", " value += 'ctrl+';\n", " }\n", " if (event.altKey && event.which !== 18) {\n", " value += 'alt+';\n", " }\n", " if (event.shiftKey && event.which !== 16) {\n", " value += 'shift+';\n", " }\n", "\n", " value += 'k';\n", " value += event.which.toString();\n", "\n", " this._key_event_extra(event, name);\n", "\n", " this.send_message(name, { key: value, guiEvent: simpleKeys(event) });\n", " return false;\n", "};\n", "\n", "mpl.figure.prototype.toolbar_button_onclick = function (name) {\n", " if (name === 'download') {\n", " this.handle_save(this, null);\n", " } else {\n", " this.send_message('toolbar_button', { name: name });\n", " }\n", "};\n", "\n", "mpl.figure.prototype.toolbar_button_onmouseover = function (tooltip) {\n", " this.message.textContent = tooltip;\n", "};\n", "mpl.toolbar_items = [[\"Home\", \"Reset original view\", \"fa fa-home icon-home\", \"home\"], [\"Back\", \"Back to previous view\", \"fa fa-arrow-left icon-arrow-left\", \"back\"], [\"Forward\", \"Forward to next view\", \"fa fa-arrow-right icon-arrow-right\", \"forward\"], [\"\", \"\", \"\", \"\"], [\"Pan\", \"Left button pans, Right button zooms\\nx/y fixes axis, CTRL fixes aspect\", \"fa fa-arrows icon-move\", \"pan\"], [\"Zoom\", \"Zoom to rectangle\\nx/y fixes axis, CTRL fixes aspect\", \"fa fa-square-o icon-check-empty\", \"zoom\"], [\"\", \"\", \"\", \"\"], [\"Download\", \"Download plot\", \"fa fa-floppy-o icon-save\", \"download\"]];\n", "\n", "mpl.extensions = [\"eps\", \"jpeg\", \"pdf\", \"png\", \"ps\", \"raw\", \"svg\", \"tif\"];\n", "\n", "mpl.default_extension = \"png\";/* global mpl */\n", "\n", "var comm_websocket_adapter = function (comm) {\n", " // Create a \"websocket\"-like object which calls the given IPython comm\n", " // object with the appropriate methods. Currently this is a non binary\n", " // socket, so there is still some room for performance tuning.\n", " var ws = {};\n", "\n", " ws.close = function () {\n", " comm.close();\n", " };\n", " ws.send = function (m) {\n", " //console.log('sending', m);\n", " comm.send(m);\n", " };\n", " // Register the callback with on_msg.\n", " comm.on_msg(function (msg) {\n", " //console.log('receiving', msg['content']['data'], msg);\n", " // Pass the mpl event to the overridden (by mpl) onmessage function.\n", " ws.onmessage(msg['content']['data']);\n", " });\n", " return ws;\n", "};\n", "\n", "mpl.mpl_figure_comm = function (comm, msg) {\n", " // This is the function which gets called when the mpl process\n", " // starts-up an IPython Comm through the \"matplotlib\" channel.\n", "\n", " var id = msg.content.data.id;\n", " // Get hold of the div created by the display call when the Comm\n", " // socket was opened in Python.\n", " var element = document.getElementById(id);\n", " var ws_proxy = comm_websocket_adapter(comm);\n", "\n", " function ondownload(figure, _format) {\n", " window.open(figure.canvas.toDataURL());\n", " }\n", "\n", " var fig = new mpl.figure(id, ws_proxy, ondownload, element);\n", "\n", " // Call onopen now - mpl needs it, as it is assuming we've passed it a real\n", " // web socket which is closed, not our websocket->open comm proxy.\n", " ws_proxy.onopen();\n", "\n", " fig.parent_element = element;\n", " fig.cell_info = mpl.find_output_cell(\"
\");\n", " if (!fig.cell_info) {\n", " console.error('Failed to find cell for figure', id, fig);\n", " return;\n", " }\n", " fig.cell_info[0].output_area.element.one(\n", " 'cleared',\n", " { fig: fig },\n", " fig._remove_fig_handler\n", " );\n", "};\n", "\n", "mpl.figure.prototype.handle_close = function (fig, msg) {\n", " var width = fig.canvas.width / fig.ratio;\n", " fig.cell_info[0].output_area.element.off(\n", " 'cleared',\n", " fig._remove_fig_handler\n", " );\n", "\n", " // Update the output cell to use the data from the current canvas.\n", " fig.push_to_output();\n", " var dataURL = fig.canvas.toDataURL();\n", " // Re-enable the keyboard manager in IPython - without this line, in FF,\n", " // the notebook keyboard shortcuts fail.\n", " IPython.keyboard_manager.enable();\n", " fig.parent_element.innerHTML =\n", " '';\n", " fig.close_ws(fig, msg);\n", "};\n", "\n", "mpl.figure.prototype.close_ws = function (fig, msg) {\n", " fig.send_message('closing', msg);\n", " // fig.ws.close()\n", "};\n", "\n", "mpl.figure.prototype.push_to_output = function (_remove_interactive) {\n", " // Turn the data on the canvas into data in the output cell.\n", " var width = this.canvas.width / this.ratio;\n", " var dataURL = this.canvas.toDataURL();\n", " this.cell_info[1]['text/html'] =\n", " '';\n", "};\n", "\n", "mpl.figure.prototype.updated_canvas_event = function () {\n", " // Tell IPython that the notebook contents must change.\n", " IPython.notebook.set_dirty(true);\n", " this.send_message('ack', {});\n", " var fig = this;\n", " // Wait a second, then push the new image to the DOM so\n", " // that it is saved nicely (might be nice to debounce this).\n", " setTimeout(function () {\n", " fig.push_to_output();\n", " }, 1000);\n", "};\n", "\n", "mpl.figure.prototype._init_toolbar = function () {\n", " var fig = this;\n", "\n", " var toolbar = document.createElement('div');\n", " toolbar.classList = 'btn-toolbar';\n", " this.root.appendChild(toolbar);\n", "\n", " function on_click_closure(name) {\n", " return function (_event) {\n", " return fig.toolbar_button_onclick(name);\n", " };\n", " }\n", "\n", " function on_mouseover_closure(tooltip) {\n", " return function (event) {\n", " if (!event.currentTarget.disabled) {\n", " return fig.toolbar_button_onmouseover(tooltip);\n", " }\n", " };\n", " }\n", "\n", " fig.buttons = {};\n", " var buttonGroup = document.createElement('div');\n", " buttonGroup.classList = 'btn-group';\n", " var button;\n", " for (var toolbar_ind in mpl.toolbar_items) {\n", " var name = mpl.toolbar_items[toolbar_ind][0];\n", " var tooltip = mpl.toolbar_items[toolbar_ind][1];\n", " var image = mpl.toolbar_items[toolbar_ind][2];\n", " var method_name = mpl.toolbar_items[toolbar_ind][3];\n", "\n", " if (!name) {\n", " /* Instead of a spacer, we start a new button group. */\n", " if (buttonGroup.hasChildNodes()) {\n", " toolbar.appendChild(buttonGroup);\n", " }\n", " buttonGroup = document.createElement('div');\n", " buttonGroup.classList = 'btn-group';\n", " continue;\n", " }\n", "\n", " button = fig.buttons[name] = document.createElement('button');\n", " button.classList = 'btn btn-default';\n", " button.href = '#';\n", " button.title = name;\n", " button.innerHTML = '';\n", " button.addEventListener('click', on_click_closure(method_name));\n", " button.addEventListener('mouseover', on_mouseover_closure(tooltip));\n", " buttonGroup.appendChild(button);\n", " }\n", "\n", " if (buttonGroup.hasChildNodes()) {\n", " toolbar.appendChild(buttonGroup);\n", " }\n", "\n", " // Add the status bar.\n", " var status_bar = document.createElement('span');\n", " status_bar.classList = 'mpl-message pull-right';\n", " toolbar.appendChild(status_bar);\n", " this.message = status_bar;\n", "\n", " // Add the close button to the window.\n", " var buttongrp = document.createElement('div');\n", " buttongrp.classList = 'btn-group inline pull-right';\n", " button = document.createElement('button');\n", " button.classList = 'btn btn-mini btn-primary';\n", " button.href = '#';\n", " button.title = 'Stop Interaction';\n", " button.innerHTML = '';\n", " button.addEventListener('click', function (_evt) {\n", " fig.handle_close(fig, {});\n", " });\n", " button.addEventListener(\n", " 'mouseover',\n", " on_mouseover_closure('Stop Interaction')\n", " );\n", " buttongrp.appendChild(button);\n", " var titlebar = this.root.querySelector('.ui-dialog-titlebar');\n", " titlebar.insertBefore(buttongrp, titlebar.firstChild);\n", "};\n", "\n", "mpl.figure.prototype._remove_fig_handler = function (event) {\n", " var fig = event.data.fig;\n", " fig.close_ws(fig, {});\n", "};\n", "\n", "mpl.figure.prototype._root_extra_style = function (el) {\n", " el.style.boxSizing = 'content-box'; // override notebook setting of border-box.\n", "};\n", "\n", "mpl.figure.prototype._canvas_extra_style = function (el) {\n", " // this is important to make the div 'focusable\n", " el.setAttribute('tabindex', 0);\n", " // reach out to IPython and tell the keyboard manager to turn it's self\n", " // off when our div gets focus\n", "\n", " // location in version 3\n", " if (IPython.notebook.keyboard_manager) {\n", " IPython.notebook.keyboard_manager.register_events(el);\n", " } else {\n", " // location in version 2\n", " IPython.keyboard_manager.register_events(el);\n", " }\n", "};\n", "\n", "mpl.figure.prototype._key_event_extra = function (event, _name) {\n", " var manager = IPython.notebook.keyboard_manager;\n", " if (!manager) {\n", " manager = IPython.keyboard_manager;\n", " }\n", "\n", " // Check for shift+enter\n", " if (event.shiftKey && event.which === 13) {\n", " this.canvas_div.blur();\n", " // select the cell after this one\n", " var index = IPython.notebook.find_cell_index(this.cell_info[0]);\n", " IPython.notebook.select(index + 1);\n", " }\n", "};\n", "\n", "mpl.figure.prototype.handle_save = function (fig, _msg) {\n", " fig.ondownload(fig, null);\n", "};\n", "\n", "mpl.find_output_cell = function (html_output) {\n", " // Return the cell and output element which can be found *uniquely* in the notebook.\n", " // Note - this is a bit hacky, but it is done because the \"notebook_saving.Notebook\"\n", " // IPython event is triggered only after the cells have been serialised, which for\n", " // our purposes (turning an active figure into a static one), is too late.\n", " var cells = IPython.notebook.get_cells();\n", " var ncells = cells.length;\n", " for (var i = 0; i < ncells; i++) {\n", " var cell = cells[i];\n", " if (cell.cell_type === 'code') {\n", " for (var j = 0; j < cell.output_area.outputs.length; j++) {\n", " var data = cell.output_area.outputs[j];\n", " if (data.data) {\n", " // IPython >= 3 moved mimebundle to data attribute of output\n", " data = data.data;\n", " }\n", " if (data['text/html'] === html_output) {\n", " return [cell, data, j];\n", " }\n", " }\n", " }\n", " }\n", "};\n", "\n", "// Register the function which deals with the matplotlib target/channel.\n", "// The kernel may be null if the page has been refreshed.\n", "if (IPython.notebook.kernel !== null) {\n", " IPython.notebook.kernel.comm_manager.register_target(\n", " 'matplotlib',\n", " mpl.mpl_figure_comm\n", " );\n", "}\n" ], "text/plain": [ "" ] }, "metadata": {}, "output_type": "display_data" }, { "data": { "text/html": [ "" ], "text/plain": [ "" ] }, "metadata": {}, "output_type": "display_data" }, { "name": "stdout", "output_type": "stream", "text": [ "Gaussian full\n", "- a1: 0.12, p1:3.65nm, w1:3.80nm\n", "- a2: 0.09, p2:7.30nm, w2:1.58nm\n", "- a3: 0.27, p3:10.96nm, w3:3.60nm\n", "- Noise\n", "- amp: 0.96, exp: 1.44\n", "- z0: 0.00\n" ] } ], "source": [ "# define data set\n", "dat = y40\n", "\n", "crit = 0.6 # manually determined\n", "\n", "################## FFT ##############################################################################\n", "\n", "# to compare the padded data to the \"normal\" data: normalize y-axes to first value\n", "# for normalization of padded data\n", "FFTpadx = FFT(*XRR(dat,crit), window=2, n=10000)[0]\n", "FFTpady = FFT(*XRR(dat,crit), window=2, n=10000)[1]\n", "\n", "# padded data: normalize y-axis to first value\n", "FFTpady_n = FFTpady/FFTpady[0]\n", "\n", "################## mask the spectrum to fit separate regions #########################################\n", "\n", "# mask for only fitting the 1/f background; remove any peaks\n", "mask5 = logical_or(logical_and(FFTpadx > 1, FFTpadx < 5), logical_and(FFTpadx > 26, FFTpadx < 80))\n", "xmask5 = FFTpadx[mask5]\n", "ymask5= FFTpady_n[mask5]\n", "\n", "# mask for full spectrum fit; remove initial points to avoid always getting a peak in the initial 1/f background\n", "mask6 = logical_and(FFTpadx > 1.1, FFTpadx < 80) \n", "xmask6 = FFTpadx[mask6]\n", "ymask6 = FFTpady_n[mask6]\n", "\n", "####################################################################################################\n", "\n", "# fitting \n", "\n", "####################################################################################################\n", "# 1/f fitting\n", "def funcNoise(x, amp, ex):\n", " return amp/pow(x, ex) # y-offset = white noise \n", "\n", "poptfNoise, pcovfNoise = optimize.curve_fit(funcNoise, xmask5, ymask5)\n", "#print('poptfNoise:{}'.format(poptfNoise))\n", "\n", "################################################################################################\n", "# gaussian fitting\n", "def funcGauss(p, a, pmax, w):\n", " return a*exp(-log(2)*((pmax-p)/(w/2))**2)\n", "\n", "def funcGauss2(p, a1, a2, pmax1, pmax2, w1, w2):\n", " return funcGauss(p, a1, pmax1, w1) + funcGauss(p, a2, pmax2, w2)\n", "\n", "def funcGauss3(p, a1, w1, a2, pmax2, w2, a3, pmax3, w3, amp, ex, z0):\n", " pmax1=pmax3-pmax2\n", " return funcGauss2(p, a1, a2, pmax1, pmax2, w1, w2) + funcGauss(p, a3, pmax3, w3) + funcNoise(p, amp, ex) +z0\n", "\n", "\n", "poptGauss3, pcovGauss3 = optimize.curve_fit(funcGauss3, xmask6, ymask6, \n", " p0=[0.2, 0.3, 0.2, 7, 0.3, 0.2, 13, 0.3, 1, 2, 2e-3], bounds=(0,inf))\n", " \n", "#print(pcovGauss3)\n", "######################################################################################################\n", "\n", "# plotting\n", "\n", "######################################################################################################\n", "\n", "# Gaussian\n", "\n", "f, ax = subplots(2,1, sharex=True, sharey=True)\n", "\n", "# plot data (FFT + zero padding)\n", "ax[0].plot(FFTpadx, FFTpady_n, 'o-', markersize=1, linewidth=0.7, color = 'dimgrey', label='data')\n", "ax[1].plot(FFTpadx, FFTpady_n, 'o-', markersize=1, linewidth=0.7, color = 'dimgrey', label='data')\n", "\n", "# plot fit\n", "ax[0].plot(xmask6, funcGauss3(xmask6, *poptGauss3), '-', color = 'goldenrod', label='multi-Gaussian fit')\n", "\n", "\n", "# plot single graphs with parameters from combined fit\n", "ax[1].plot(xmask6, funcGauss(xmask6, *poptGauss3[2:5]),'--', color = 'darkblue', label='Gaussian 1')\n", "ax[1].plot(xmask6, funcGauss(xmask6, poptGauss3[0], poptGauss3[6]-poptGauss3[3], poptGauss3[1]),\n", " '--', color = 'purple', label='Gaussian 2')\n", "ax[1].plot(xmask6, funcGauss(xmask6, *poptGauss3[5:8]),'--', color = 'teal', label=r'Gaussian 3')\n", "ax[1].plot(xmask6, funcNoise(xmask6, *poptGauss3[8:10]),'--', color = 'chocolate', label=r'1/f$^\\alpha$')\n", " \n", "\n", "ax[0].set_ylabel(r\"normalized FFT amplitude\", y=0)\n", "ax[1].set_xlabel(r\"thickness (nm)\")\n", "\n", "\n", "ax[0].set_xlim(0,35)\n", "ax[0].set_ylim(0,0.45)\n", "\n", "ax[0].legend()#loc='lower right')\n", "ax[1].legend()#loc='lower right')\n", "#ax[2].legend()\n", "\n", "f.subplots_adjust(hspace=0)\n", "\n", "print('Gaussian full')\n", "print('- a1: {:.2f}, p1:{:.2f}nm, w1:{:.2f}nm'\n", " .format(poptGauss3[0], poptGauss3[6]-poptGauss3[3],poptGauss3[1]))\n", "print('- a2: {:.2f}, p2:{:.2f}nm, w2:{:.2f}nm'\n", " .format(*poptGauss3[2:5]))\n", "print('- a3: {:.2f}, p3:{:.2f}nm, w3:{:.2f}nm'\n", " .format(*poptGauss3[5:8]))\n", "print('- Noise')\n", "print('- amp: {:.2f}, exp: {:.2f}'.format(poptGauss3[8], poptGauss3[9]))\n", "print('- z0: {:.2f}'.format(poptGauss3[10]))\n", "\n" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [] } ], "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": "3.8.6" } }, "nbformat": 4, "nbformat_minor": 4 }