previous page

2.6.3

2.6.2

2.6.1

2.6

2.5.8

2.5.7

2.5.6

2.5.5

2.5.3

2.5.2

2.5.1

2.5

2.4.9

2.4.5

2.4.4

2.4.3

2.4.2

2.4.1

2.4

2.3.7

2.3.6

2.3.5

2.3.4

2.3.3

  1. Reads Chemical Files (ChemDraw, .mol and many, many others).
  2. Draws Chemical Structures.
  3. Manipulates Chemical Structures.
  4. Automatically fills the following metadata fields: formula and smiles.
  5. You can use iNMR to convert a chem structure into a Quartz (PDF) picture (nothing to do with NMR, of course).

2.3.2

  1. New Filter: Jeol GX.
  2. [peak-picking] the single click can never create more than a single entry.
  3. [J Manager] can import a 13-C peak-picking list with copy & paste.
  4. [J Manager] new reporting style for 13-C spectra.
  5. [simulations] new global option: "First Order" (approximation).
  6. [simulations] the drawer reports the number of chemically equivalent nuclei.
  7. [registration] when it fails, the dialog shows back the key entered.
  8. [XWin-NMR filter] reads data processed on Silicon Graphics too.
  9. The old Aspect and JCAMP filters now import the temperature (JCAMP also imports the solvent).

2.3.1

J Manager revisited: added two new reporting styles and a new icon (“match”) to average the J constant of two coupling partners, while the underlying algorithm is more stable and powerful.

2.3

2.2.9

Prototype of the J Manager.

2.2.8

2.2.7

Solvent and Temperature have been added to the metadata. They are extracted from Bruker and Varian spectra (even those already converted!) and can be edited in all cases; are shown by the Finder with the command “Get Info”.

2.2.6

2.2.5

2.2.4

2.2.3

2.2.2

2.2.1

2.2

2.1.9

Text output in unix style.

2.1.8

2.1.7

2.1.4

2.1.1

2.1

  1. 2D Peak Picking.
  2. Reference Deconvolution (1D only).
  3. Arrayed plot.
  4. Chessboard-like 2D and 3D plot.
  5. Smarter Integral Labels automatically displace themselves before coming in contact (1D only).
  6. Option to display absolute integrals.
  7. The “info” tool reports the names of the single overlays (1D only).
  8. Table of integrals from overlays.
  9. Normalization of all 1D overlays against a common reference peak.
  10. The printed title doesn't collide with the 1D peak-picking labels.
  11. Filter to export 2D and 3D spectra in the ucsf (Sparky) format.
  12. Batch Processing allows higher order polynomial baseline corrections.

2

next page

Copyright © 2005-2017 nucleomatica
Valid XHTML and CSS. UTF-8 encoding.