___ / _____/ ___ / _____/ / / / / / / / / / / _____/ _____/ __ / / ____ / / / / | / / / __/ ______/ __/ __| ______/ __/ __/ P E A K R E S E A R C H What is PERCH? How to get PERCH? PERCH News What is PERCH? PERCH (PEak reseaRCH) is an integrated software package offering some powerful tools for research on 1D-NMR spectra, like: IMPORT of spectral NMR data from all major manufacturers, FFT with the common features (zero filling, windowing, phase correction), PEAK PICKING with a peak-top interpolation (essential for spectral analysis), BASELINE correction with up to 40 terms and peak recognition, DECONVOLUTION with total-line-shape fitting, graphical peak editing, constraints features for frequencies, intensities, line-widths, peak areas and multiplets including baseline correction, SIMULATION and iteration for up to 12 spins (chemical and magnetic equivalence, X-approximation), ITERATION modes, including the traditional LAOCOON-type, peak-top-fitting for accurate analysis in presence of line-overlap, a well tuned mode using integral transformations which offers exceptional fast spectral analysis even when starting from very poor trial parameters and a total- line-shape for most accurate spectral analysis, SPECTRAL PARAMETER editing by picking starting parameters for chemical shifts and coupling constants directly from the observed spectrum using a graphical user interface, GRAPHICAL ASSIGNMENT procedure for calculated and observed spectra with automatic and manual modes, DATA COMPRESSION using a special data format, preserving the complete line-shape information of each single peak, yielding compression factors up to 20 and even more, LANTHANIDE SHIFTS analysis and a program for estimating vicinal couplings based on the Haasnoot equation, OUTPUT via a print utility providing a multi document interface for displaying, printing and copying (via WINDOWS clipboard) of multiple (stacked) spectra, PERCH takes advantage of 32-bit code, is running on IBM/compatible PC (386 or higher, math. coprocessor) and can be accessed from a graphical user interface under WINDOWS (picture) or command driven directly under DOS. For more information please contact: Department of Chemistry phone: + 358 71 163242 University of Kuopio, P.O.B. 1627 telefax: + 358 71 163259 FIN-70211 Kuopio, FINLAND e-mail: perch@kummeli.uku.fi How to get PERCH? PERCH is available via anonymous FTP, providing a dozen examples which form a nice tutorial on spectral analysis.This tutorial is a subset of the entire package. Some features are completely free usable (e.g. simulation, LAOCOON iteration), other features are restricted to the given examples and some features are not implemented at all. If you like to test PERCH with your own data, please contact: perch@kummeli.uku.fi FTP to ftp.funet.fi, change to directory /pub/sci/chem/nmr/ and retrieve following files (binary!): perch1.exe (1.1 MB) perch2.exe (1.1 MB) perch3.exe (0.7 MB) manual.exe (152 KB) The 3 self extracting PERCH archives contain all necessary files and a setup program to ensure successful installation. MANUAL.EXE contains the manuals in WordPerfect 5.2 format. Extract the archives and follow the setup instructions in README.TXT (in PERCH1.EXE). PERCH News The PERCH version 1/95 is released. All licensees receive a free update! Some new features: MULTIPLET CONSTRAINTS The deconvolution program allows to define multiplets to simplify constraints. STACKED SPECTRA It is possible to deconvolute up to 10 spectra in one run. DISPLAY/PRINTING There is an improved display and printing module (multiple, stacked spectra). ITERATION The refined iteration/simulation module PERCHit comes with a well tuned mode using integral transforms and a new total-line-shape mode. SPECTRAL PARAMETER The graphical editor for spectral parameters provides some special tools for finding corresponding couplings and setting multiplet widths. FFT A program for fast Fourier transformation with special emphasis on preparation of ultra-high resolution spectra. picture LANTHANIDE SHIFTS A program for analysis of lanthanide shifts (reads HYPERCHEM and ALCHEMY III). HAASNOOT A program for estimation of vicinal couplings based on the Haasnoot equation. Copyright 1993-1995 PERCH Project, University of Kuopio, Finland All rights reserved