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质谱同位素丰度计算程序最重要应用之一,是提供含有多种同位素的过渡金属原子簇化合物、有机金属配位化合物及中等质量分子和高分子材料的鉴定和识别。本文运用直接对数法与对比法(改进对数法)进行程序设计。程序具有通用、灵活、快速的特点,只要输入化学式、元素数目、方案参数和阈值,即可快速输出丰富而复杂的质谱簇峰图。本程序用 FORTRANⅣ语言编写,在 PDP—11/70电子计算机上运行.
One of the most important applications of MS isotope abundance calculation programs is the identification and identification of transition metal cluster compounds, organometallic complexes, and intermediate-quality molecular and polymeric materials containing multiple isotopes. This article uses the direct logarithm method and contrast method (improved logarithm method) for program design. With a versatile, flexible and fast program, you can quickly and easily output rich and complex mass spectrogram peaks by simply entering the chemical formula, number of elements, protocol parameters, and thresholds. This program is written in FORTRAN IV language and runs on a PDP-11/70 computer.