CheD contents many helpful routines for chemists

Chemical structure file processing:
1. Structure files(MOL, SDF, JCAMP-CS, SMD, HIN) browsing and edition
2. ChemWin(SCF) to MOL file convertion
3. Batch conversion from MOL to SDF file
MS spectra processing
1. Calculation of mass and isotopic distribution from brutto-formula
2. Element mass properties and distribution table
3. Calculation of brutto-formula from exact mass measurements
4. Calculation of peak position and intensity distribution for fragment marked on structure
5. Mass spectrum expertise
IR spectra processing
1. Transmittnce/Absorbance transformation, Subtraction, Baseline correction, Normalization
2. Peaktable generation
3. Point by point spectrum edition
4. Contour decomposition
NMR spectra processing
1. Spectrum simulation using Chemical shifts and JJ coupling constants
2. Element magnetic properties
3. Peak assignment checking using teached database of fragments
4. Standard recalculation
5. JCAMP FID/Spectrum processing - read/write, Fourier transform, Phase correction.