Mahler J, Sebald A
Bayerisches Geoinstitut, Universität Bayreuth, Germany.
Solid State Nucl Magn Reson. 1995 Oct;5(1):63-78. doi: 10.1016/0926-2040(95)00027-n.
It is common practice to quantify 29Si magic-angle spinning nuclear magnetic resonance (MAS NMR) spectra of silicate glasses by using lineshape fitting routines based on Gaussian distribution functions. This procedure depends on several -implicit -assumptions. In this contribution we have addressed and questioned these underlying assumptions. Also "goodness-of-fit" criteria and experimental considerations ("goodness-of-data") have been discussed. Some illustrative practical examples (silica glass, binary Na2O-SiO2 glasses with different Na:Si ratio) are given.
通过使用基于高斯分布函数的线形拟合程序来量化硅酸盐玻璃的29Si魔角旋转核磁共振（MAS NMR）谱是一种常见的做法。 这个过程依赖于几个隐含的假设。 在本论文中，我们对这些潜在的假设进行了探讨并提出了质疑。 同时还讨论了“拟合优度”标准和实验考虑因素（“数据质量”）。 给出了一些具有说明性的实际例子（石英玻璃、具有不同Na:Si比的二元Na2O-SiO2玻璃）。
