11 posts tagged with "newsletter"

This update brings several improvements to molecule management in NMRium, making structure creation, labeling, and importing smoother and more intuitive.

1. Assignment links multiplets to atoms in the molecule. Custom labels if defined appear in the spectrum, making reporting straightforward.

2. Fast atom labelling is now available — just press space or enter a custom label to number or name atoms directly, making assignment in natural product studies quick and consistent.

3. Molecule editing is easier than ever. New canvas-level shortcuts let you build and adjust structures efficiently. Check the documentation for tips and details.

4. Molfile imports has been improved to deal with custom atom labels. NMRium recognizes atom labels that are placed in ZZC, 'A' alias or 'V' value molfile fields

This trimester brings two powerful new features to NMRium!

1. Multiple customizable insets – You can now add as many insets as you like, and easily resize, rescale, and customize what each one displays, giving you greater flexibility and clarity in spectrum analysis.

2. Direct 1D–2D assignment – NMRium now lets you assign 1D spectrum directly from the 2D spectra by linking a 1D multiplet in the 2D plot to its corresponding atom, streamlining and simplifying the assignment process

The latest version of www.nmrium.com includes the following enhancements:

1. Advanced 1D and 2D mouse zoom. Use SHIFT and scroll wheel for horizontal zoom Use CTRL + click + move for horizontal and vertical zoom Zoom in horizontally and vertically at the same time. Learn more here.

2. Assign 1D spectra from 2D. You can now directly assign the 1D spectrum from the 2D. NMRium will also suggest the assignment for crosspeaks.

3. Preview fully processed spectrum while changing apodization.

4. Improved molecular editor to deal with advanced stereochemistry. More info here.

The latest version of www.nmrium.com includes the following enhancements:

1. Right toolbar to open/close panels in order to simplify the interface.

2. New processing panel with more advanced apodization options.

3. Horizontal zoom with SHIFT + Scroll wheel and right Click + Drag to pan.

4. Move elements before creating reports

5. Select resolution when exporting as PNG or SVG.

We are excited to announce our latest product - NMRiumDB, a comprehensive solution designed to streamline and secure your NMR spectra analysis.

NMRiumDB is a custom application that can be installed within your company's firewall, ensuring the utmost data security. It indexes all available NMR spectra on your system and provides a user-friendly web server that allows intranet access to all your spectra.

Key Features:

1. In-house Installation: NMRiumDB is installed behind your firewall, ensuring that no data leaves your company's secure network.
2. Easy Access: All your NMR spectra are indexed and made accessible through a web server on your intranet.
3. User-friendly Interface: NMRiumDB offers a seamless user experience, with spectra processing efficiently performed within the web browser.
4. Multiple File Formats: Supports JCAMP-DX, Bruker folder, and 1D spectra of JEOL and Varian.

We invite you to try out a demo of NMRiumDB at https://db.nmrium.org or have a look at the attached video.

As someone deeply passionate about online teaching, I've always been interested in creating resources that are not only innovative but also accessible to all, regardless of geographical or economic constraints.

With this in mind, I'm delighted to present NMRium, a browser-based software designed to enhance the teaching of NMR structural analysis. Beyond its accessibility, it also offers an engaging and enjoyable learning experience, injecting both fun and motivation into the process.

NMRium's standout feature is the new 'Hints' system. This intelligent tool guides students towards the correct answer by checking the difference between their proposed answer and the correct one, providing hints without giving away the solution.

Here are some exercises you can start using right away and share with your students:
A simple series focusing on common solvents found in organic chemistry labs.
Link to exercises: https://www.nmrium.com/teaching/demo-1h
Link to the corrections: https://nmrdata.github.io/nmr-dataset-apprentis-1h/correction/
A series focusing on predicted proton NMR spectra of structural isomers of the same molecular formula:
Link to exercises: https://www.nmrium.com/teaching/demo-predicted
Link to the corrections: https://nmrdata.github.io/nmr-dataset-predicted/correction
More resources for teaching are available on https://www.nmrium.com/teaching.

The latest version of www.nmrium.com includes the following enhancements:

1. Annotation of 1D ranges (multiplet):

2. Vertical and Horizontal Scaling

• Scroll wheel allows for vertical scaling of the spectrum

• SHIFT + scroll wheel allows for horizontal scaling

• Right click + drag to move the spectrum

3. Annotation of 2D zones

4. New contextual tooltip with more detailed information and direct link to https://docs.nmrium.org

Teaching NMR spectrometry to a big group of students is tough. You want the students to solve structural elucidation problems on their own. Yet, you can't explain the reasoning to each one.

In this new update of www.nmrium.com we propose a middle ground. The students can ask for hints to help them find the right answer. However, we want them to be aware of the number of wrong answers or hints they have asked for, and therefore, we display corresponding badges (red for wrong answers and orange for the number of hints).

You may try by yourself and give us feedback. You are of course free to share all the series available on https://www.nmrium.com/teaching but we can also assist you to create your own series. Currently 2 series propose hints:

Simple 1D exercises 1H of solvents and simple molecules

The latest version of www.nmrium.com includes the following enhancements:

1. Improvements in baseline correction:

• Automatic identification of zones related to the baseline

• Resize and suppression of baseline zones

• Visualization of the zero as a yellow line

2. It is now possible to export the spectrum as textfile for further processing in other softwares.

3. A new link was added to NMRium video tutorials.

4. Show atom numbers in the molecule and the corresponding range. Very practical to write reports !

5. Improvements in SVG exportation. The obtained SVG is now compatible with most of the softwares.

The latest version of www.nmrium.com includes the following enhancements

1. For a range (multiplet analysis), you can now toggle the display of peaks and integrals. Changing the size of a range will also recalculate the peaks.

2. It is now possible to select spectra in the stack view which is very practical to identify outliers.

3. Other improvements:

• Possibility to display specific parameters like P1, P2 in the spectra panel.

• Speed enhancement by loading all the files in parallel.

• Reading assignments and chemical structures from JCAMP-CX.

• Reading integrals from Bruker files.