******************************************************************************* *************************** PERCH NMR Software ****************************** ******************************************************************************* PERCH (PEak reseaRCH) is an integrated NMR-software package for 1D-NMR spectra (for more information, see below). What is new? - PERCHIT (PERCH compatible version of NUMARIT for large spin systems) - DORES (Double resonance simulation) - A new baseline routine (mixed Fourier and Polynominal terms) - Improved peak picking and deconvolution routines - A faster MLD iteration/simulation module What do I need to download? There are 2 archives, PERCH1.ZIP and PERCH2.ZIP. If you already have downloaded a previous demo version, you need PERCH1.ZIP only. Otherwise you need to download both archives. The archives were created by PKZIP version 2.04g. You need this or a newer version to extract. PKZIP is available via anonymous ftp (remember to retrieve in BINARY mode). To run PERCH under Windows 3.1 you need VBRUN300.DLL (from ftp.funet.fi in /pub/msdos/windows/util/vbrun300.exe or from somewhere else). Extract the archive(s) on your harddisk and follow the setup instructions in README.TXT if you want to run PERCH under Windows. **************************************************************** * THIS DEMO VERSION IS ABLE TO HANDLE ONLY THE GIVEN EXAMPLES. * * These examples are described in PERCH.TXT, Chapter 5. * **************************************************************** You are free to copy and distribute this DEMO VERSION. To get the full unlimited RELEASE VERSION, send the filled ORDER.TXT : PERCH Project Department of Chemistry University of Kuopio POB 1627 SF-70211 Kuopio, FINLAND What is PERCH? (some more information) PERCH (PEak reseaRCH) is an integrated NMR-software package for research, analytics and education. The spectral analysis and simulation up to 10 spins is based on the program MLDC (Modified LAOCOON with Dipolar Couplings). MLDC provides several iterative modes, including the traditional LAOCOON-type, peak-top-fitting for accurate analysis in presence of line-overlap and a total-line-shape mode, where no assignments are required. Additionally the package offers some powerful tools to prepare the input data required by MLDC and for research on 1D-NMR spectra in general, like: - import of spectral NMR data from all major manufacturers, - an effective packing utility to compress data by factors up to 20, preserving the complete line-shape information of each single peak, - an efficient peak-picking and peak-top interpolation based on a line-shape and noise analysis (essential for precise spectral analysis), - a multi-term baseline correction (essential as well), smoothing and averaging, - a very fast deconvolution (a couple of minutes for fitting frequency, intensity and line-width for each of 20 lines/1000 spectral points, including a 4-term baseline correction) with total-line-shape fitting, a graphical peak editing and constraints features for frequencies, intensities, line-widths and integrals, - a graphical assignment procedure for calculated and observed spectra with automatic and manual modes. This is what you always have been waiting for! PERCH takes advantage of 32-bit code, is running on IBM/compatible PC (386/486) and can be accessed from a graphical user interface under Windows or command driven directly under DOS. Prices: (valid as long as our university is free from paying any taxes) personal(educational) license: US$ 950 institutional(commercial) license: US$ 1500 A free demo version is available via ftp on ftp.funet.fi (in pub/sci/chem/nmr). For more information contact: PERCH Project phone: + 358 71 163242 Department of Chemistry fax: + 358 71 163259 University of Kuopio, POB 1627 E-mail: perch@mesaani.uku.fi SF-70211 Kuopio, FINLAND Copyright 1993-1994 PERCH Project, University of Kuopio, Finland. All rights reserved.