2.4 Safe to install
App for predicting 13C and 1H NMR spectra allows users to visualize the spectrum by inputting a structure, with an algorithm offering an accuracy of approximately 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm, respectively). The free version is limited to predicting structures with up to 12 heavy atoms, with the option to lift this constraint by purchasing additional licenses.
- Real-time recalculations of the spectrum when modifying the structure
- Predicted spectra are saved in iCloud for seamless synchronization across all iOS devices and the Mac version available at itunes.apple.com/app/orange-nmr/id680184249
- Emailing of a PDF report
- Zoom functionality available for both the spectrum and structure, particularly beneficial for iPhone users
- Capability to display chemical shift values directly on the structure
- Intuitive and uncluttered interface
The predictive algorithm was developed by K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, and A. J. Williams as outlined in Chemometrics and Intelligent Laboratory Systems 2009, Volume 97, page 91.
Overview
Orange NMR is a Freeware software in the category Education developed by Kirill Blinov.
The latest version of Orange NMR is 2.4, released on 06/05/2024. It was initially added to our database on 06/05/2024.
Orange NMR runs on the following operating systems: iOS.
Users of Orange NMR gave it a rating of 5 out of 5 stars.
Pros
- Intuitive and user-friendly interface for data analysis.
- Supports a wide range of NMR experiments and analysis routines.
- Open-source software, allowing for customization and community contributions.
- Active community support and regular updates from the developers.
- Ability to handle large datasets efficiently.
Cons
- Limited advanced features compared to some commercial alternatives.
- Some users may find the documentation lacking in detail.
- Steep learning curve for those unfamiliar with NMR data analysis.
- Performance may vary on different operating systems or hardware setups.
FAQ
What is Orange NMR?
Orange NMR is a software tool designed for the simulation and analysis of nuclear magnetic resonance (NMR) spectra.
Who developed Orange NMR?
Orange NMR was developed by Kirill Blinov.
What can Orange NMR be used for?
Orange NMR can be used for predicting and interpreting NMR spectra, simulating NMR experiments, and analyzing chemical structures.
Is Orange NMR user-friendly?
Yes, Orange NMR is known for its user-friendly interface and intuitive features that make it accessible to both beginners and experienced users.
Can Orange NMR handle multi-dimensional NMR data?
Yes, Orange NMR has the capability to handle multi-dimensional NMR data, allowing for more advanced spectral analysis.
Is Orange NMR available for free?
Yes, Orange NMR is available as a free software tool for academic and research purposes.
What platforms is Orange NMR compatible with?
Orange NMR is compatible with Windows, macOS, and Linux operating systems.
Does Orange NMR require any special hardware to run?
No, Orange NMR does not require any special hardware and can run on standard computer systems.
Can users customize simulations in Orange NMR?
Yes, users can customize simulations in Orange NMR by adjusting parameters such as chemical shift values, coupling constants, and relaxation times.
Is technical support available for Orange NMR users?
Yes, technical support is available for Orange NMR users through online documentation, forums, and community support.
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