遇见数据集

AJSPIN-WORKBOOK

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Zenodo2026-01-01 更新2026-05-26 收录
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# 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.

提供机构:
Zenodo
创建时间:
2026-01-01
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