AJSPIN-WORKBOOK

# AJSPIN-WORKBOOK: High-Speed NMR Reporting Tool A web-based environment for converting NMR peak data into journal-ready text. Designed to replace manual Excel-based workflows like ASpin. ## 🚀 Live Demo[Access the Tool Here](https://amit1436.github.io/AJSPIN-WORKBOOK/) ## ✨ Key Features* **Zero-Installation:** Runs entirely in the browser.* **Automated J value calculations:** Algorithmic assignment of J values for doublets, triplets, doublets of doublet etc.* **Dynamic Color-Coding:** Instant visual feedback without manual cell painting.* **Journal Formatting:** One-click export to ACS, RSC, and Wiley styles. ## 📖 How to UseFor writing 1H NMR data1. Choose solvent, spectrometer frequency and journal styles.2. With the help of OCR tool like Capture2text select the peaks and insert them into each section.3. You can also enter the peaks manually, also you can insert the peaks in any order.3. Click on the +H to add hydrogens or edit the 1H in text part below each section or in the result section.4. After pasting the peak values in each section click on update final report.5. All the values are then displayed in descending order, also j1, j2 values are in descending order, also the final report is fully editable. For writing 13C NMR data1. Choose solvent, spectrometer frequency and journal styles.2. Paste all ppm values in the "input 13c value" section.3. After putting all the values in this section (values need not to be in any order), click convert & format.4. Now it will display the final result in descending order and also round off the values to one or two decimal places as desired.5. Carbon counter has also been added to count all the peaks and display the total number of 13C peaks.6 Click "copy to clipboard" to copy the final result and paste it into your manuscript.# AJSPIN-WORKBOOK: 高速核磁共振波谱（Nuclear Magnetic Resonance, NMR）报告工具 本工具为基于网页的开发环境，可将NMR峰数据转换为符合期刊发表要求的格式化文本，旨在替代诸如ASpin这类基于Excel的手动工作流程。 🚀 在线演示[点击此处访问工具](https://amit1436.github.io/AJSPIN-WORKBOOK/) ✨ 核心功能 * **零安装：** 完全在浏览器中运行，无需额外安装任何软件。 * **自动耦合常数（J）计算：** 通过算法为二重峰、三重峰、双二重峰等各类峰型分配耦合常数。 * **动态色彩编码：** 无需手动对单元格进行着色，即可获得即时视觉反馈。 * **期刊格式适配：** 一键导出为美国化学会（American Chemical Society, ACS）、英国皇家化学会（Royal Society of Chemistry, RSC）以及威利（Wiley）的期刊格式规范。 📖 使用方法 ### 1H NMR数据撰写 1. 选择溶剂、光谱仪频率以及期刊格式规范。 2. 借助Capture2text等光学字符识别（Optical Character Recognition, OCR）工具选取峰数据，并将其插入对应区域。 3. 也可手动输入峰数据，且支持以任意顺序插入峰数据。 3. 点击「+H」添加氢原子，或在各区域下方的文本框或结果区域中编辑1H氢谱相关内容。 4. 将峰值粘贴至各区域后，点击「更新最终报告」。 5. 所有数值将按降序排列，J1、J2耦合常数亦将按降序排列，且最终报告支持全量编辑。 ### 13C NMR数据撰写 1. 选择溶剂、光谱仪频率以及期刊格式规范。 2. 将所有ppm值粘贴至「输入13C数值」区域。 3. 将所有数值填入该区域（无需按特定顺序）后，点击「转换并格式化」。 4. 系统将按降序显示最终结果，并可根据需求将数值保留一位或两位小数。 5. 新增碳计数器功能，可统计所有峰的数量并显示13C峰的总个数。 6. 点击「复制到剪贴板」即可将最终结果复制至剪贴板，粘贴至稿件中即可使用。