{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/bobleesj/quantem.widget/blob/main/notebooks/show1d/show1d_simple.ipynb)\n", "# Show1D — Quick Demo\n", "Interactive 1D viewer for spectra, line profiles, and time series." ] }, { "cell_type": "code", "execution_count": 1, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:06.623477Z", "iopub.status.busy": "2026-02-22T07:06:06.623341Z", "iopub.status.idle": "2026-02-22T07:06:06.632256Z", "shell.execute_reply": "2026-02-22T07:06:06.631753Z" } }, "outputs": [], "source": [ "try:\n", " import google.colab\n", " !pip install -q -i https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ quantem-widget\n", "except ImportError:\n", " pass # Not in Colab, skip" ] }, { "cell_type": "code", "execution_count": 2, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:06.633666Z", "iopub.status.busy": "2026-02-22T07:06:06.633572Z", "iopub.status.idle": "2026-02-22T07:06:06.663584Z", "shell.execute_reply": "2026-02-22T07:06:06.663217Z" } }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "env: ANYWIDGET_HMR=1\n" ] } ], "source": [ "try:\n", " %load_ext autoreload\n", " %autoreload 2\n", " %env ANYWIDGET_HMR=1\n", "except Exception:\n", " pass # autoreload unavailable (Colab Python 3.12+)" ] }, { "cell_type": "code", "execution_count": 3, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:06.677461Z", "iopub.status.busy": "2026-02-22T07:06:06.677377Z", "iopub.status.idle": "2026-02-22T07:06:07.947081Z", "shell.execute_reply": "2026-02-22T07:06:07.946734Z" } }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "Generators ready (device=mps)\n", "quantem.widget 0.4.0a3\n" ] } ], "source": [ "import numpy as np, torch\n", "import quantem.widget\n", "from quantem.widget import Show1D\n", "device = torch.device(\"mps\" if torch.backends.mps.is_available() else \"cuda\" if torch.cuda.is_available() else \"cpu\")\n", "def make_eels_spectrum(n=512, seed=0):\n", " torch.manual_seed(seed)\n", " e = torch.linspace(-20, 800, n, device=device)\n", " zlp = 1000 * torch.exp(-0.5 * (e / 3) ** 2)\n", " plasmon = 200 * torch.exp(-0.5 * ((e - 15) / 5) ** 2) + 80 * torch.exp(-0.5 * ((e - 30) / 8) ** 2)\n", " bg = torch.where(e > 5, 5000 * (e.clamp(min=5) / 5) ** -2.5, torch.tensor(0.0, device=device))\n", " edge = torch.where(e > 532, 15 * ((e - 532).clamp(min=0) / 50) ** 0.4 * torch.exp(-(e - 532) / 200), torch.tensor(0.0, device=device))\n", " spec = (zlp + plasmon + bg + edge).cpu().numpy()\n", " return e.cpu().numpy().astype(np.float32), (spec + np.random.default_rng(seed).poisson(2, n)).astype(np.float32)\n", "def make_convergence_curve(n=200, seed=0):\n", " torch.manual_seed(seed)\n", " epochs = torch.arange(n, dtype=torch.float32, device=device)\n", " loss = (10.0 * torch.exp(-0.02 * epochs) + 0.1).cpu().numpy()\n", " return epochs.cpu().numpy(), (loss + 0.05 * np.random.default_rng(seed).standard_normal(n)).astype(np.float32)\n", "print(f\"Generators ready (device={device})\")\n", "print(f\"quantem.widget {quantem.widget.__version__}\")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Single EELS Spectrum" ] }, { "cell_type": "code", "execution_count": 4, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:07.948323Z", "iopub.status.busy": "2026-02-22T07:06:07.948207Z", "iopub.status.idle": "2026-02-22T07:06:08.042678Z", "shell.execute_reply": "2026-02-22T07:06:08.042320Z" } }, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "f7a03066f79346bcb6f479e6ccd2cf17", "version_major": 2, "version_minor": 1 }, "text/plain": [ "Show1D(512 points)" ] }, "execution_count": 4, "metadata": {}, "output_type": "execute_result" } ], "source": [ "energy, spec = make_eels_spectrum()\n", "Show1D(spec, x=energy, title=\"EELS Spectrum\", x_label=\"Energy Loss\", x_unit=\"eV\", y_label=\"Counts\")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Auto-Contrast — Reveal Core-Loss Edges\n", "The zero-loss peak dominates the Y-axis, hiding weak core-loss features.\n", "Enable `auto_contrast=True` with percentile clipping to zoom into the signal." ] }, { "cell_type": "code", "execution_count": 5, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:08.044624Z", "iopub.status.busy": "2026-02-22T07:06:08.044548Z", "iopub.status.idle": "2026-02-22T07:06:08.057608Z", "shell.execute_reply": "2026-02-22T07:06:08.057268Z" } }, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "aac9051a4c4c430789dfbffe0c4368c5", "version_major": 2, "version_minor": 1 }, "text/plain": [ "Show1D(512 points)" ] }, "execution_count": 5, "metadata": {}, "output_type": "execute_result" } ], "source": [ "Show1D(\n", " spec,\n", " x=energy,\n", " title=\"EELS — Auto-Contrast\",\n", " x_label=\"Energy Loss\",\n", " x_unit=\"eV\",\n", " y_label=\"Counts\",\n", " auto_contrast=True,\n", " percentile_low=2.0,\n", " percentile_high=98.0,\n", ")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Multiple Spectra Overlay\n", "Compare spectra from different sample regions." ] }, { "cell_type": "code", "execution_count": 6, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:08.060510Z", "iopub.status.busy": "2026-02-22T07:06:08.060433Z", "iopub.status.idle": "2026-02-22T07:06:08.084483Z", "shell.execute_reply": "2026-02-22T07:06:08.083983Z" } }, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "ce45415dcc7b4c469ad7e193eab860c8", "version_major": 2, "version_minor": 1 }, "text/plain": [ "Show1D(3 traces x 512 points)" ] }, "execution_count": 6, "metadata": {}, "output_type": "execute_result" } ], "source": [ "energy, spec1 = make_eels_spectrum(seed=0)\n", "_, spec2 = make_eels_spectrum(seed=1)\n", "_, spec3 = make_eels_spectrum(seed=2)\n", "Show1D(\n", " [spec1, spec2, spec3],\n", " x=energy,\n", " labels=[\"Region A\", \"Region B\", \"Region C\"],\n", " title=\"EELS — Multi-region Comparison\",\n", " x_label=\"Energy Loss\", x_unit=\"eV\", y_label=\"Counts\",\n", ")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Optimization Convergence\n", "Track reconstruction error over iterations." ] }, { "cell_type": "code", "execution_count": 7, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:08.087245Z", "iopub.status.busy": "2026-02-22T07:06:08.087188Z", "iopub.status.idle": "2026-02-22T07:06:08.103777Z", "shell.execute_reply": "2026-02-22T07:06:08.103351Z" } }, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "276f68f3d1244febbcef7191bddc85dd", "version_major": 2, "version_minor": 1 }, "text/plain": [ "Show1D(200 points)" ] }, "execution_count": 7, "metadata": {}, "output_type": "execute_result" } ], "source": [ "epochs, loss = make_convergence_curve()\n", "Show1D(loss, x=epochs, title=\"Ptychography Convergence\", x_label=\"Iteration\", y_label=\"Error\", log_scale=True)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## State Inspection" ] }, { "cell_type": "code", "execution_count": 8, "metadata": { "execution": { "iopub.execute_input": "2026-02-22T07:06:08.106500Z", "iopub.status.busy": "2026-02-22T07:06:08.106437Z", "iopub.status.idle": "2026-02-22T07:06:08.119255Z", "shell.execute_reply": "2026-02-22T07:06:08.118844Z" } }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "EELS Spectrum\n", "================================\n", "Series: 1 x 512 points\n", "Labels: Data\n", "X range: -20 - 800\n", "X axis: Energy Loss (eV)\n", " [0] Data: mean=40.28 min=7.794e-06 max=3850 std=225.8\n", "Display: linear | grid\n" ] } ], "source": [ "w = Show1D(spec, x=energy, title=\"EELS Spectrum\", x_label=\"Energy Loss\", x_unit=\"eV\")\n", "w.summary()" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [] } ], "metadata": { "kernelspec": { "display_name": "Python (bob-env)", "language": "python", "name": "bob-env" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.11.14" }, "widgets": { "application/vnd.jupyter.widget-state+json": { "state": { "09939a2f86574e059935a7d2988a3d4a": { "model_module": "@jupyter-widgets/base", "model_module_version": "2.0.0", "model_name": "LayoutModel", "state": { "_model_module": "@jupyter-widgets/base", "_model_module_version": "2.0.0", "_model_name": "LayoutModel", "_view_count": null, "_view_module": "@jupyter-widgets/base", "_view_module_version": "2.0.0", "_view_name": "LayoutView", "align_content": null, "align_items": null, "align_self": null, 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