MathIOmica‐MSViewer: a dynamic viewer for mass spectrometry files for Mathematica

MathIOmica‐MSViewer is an add‐on graphical user interface utility for the Mathematica software system which facilitates the visualization and exploration of spectra from open format mass spectrometry files (mzXML and mzML standard community formats). The viewer was designed for simplicity and handling of large mass spectrometry data files. To facilitate searches, users may use search filters for the spectra based on mass to charge ratios and retention times, and visualize precursor spectra associated to a parent spectrum. Availability: The viewer is available as a Mathematica notebook (MathIOmica‐MSViewer.nb) at https://doi.org/10.5281/zenodo.321385 . The software is provided under an MIT License. © 2017 The Authors. Journal of Mass Spectrometry published by John Wiley & Sons, Ltd.     

用三个关系式与Mathematica软件求第二类自然数幂和公式

首先介绍三个第二类自然数幂和关系式并对其中的两式给出证明,接着利用这些关系式与数学软件M athem atica4.0,给出求解第二类自然数幂和公式的若干机械计算方法.     

用线性插值法求单摆运动周期的近似解

利用线性插值的方法,提出了一个任意摆角条件下的单摆运动周期的近似公式.并利用Mathematica软件将该公式与精确解进行了比较,还与其他近似公式进行了对比.结果表明,该公式的近似程度相当好.     

“数学实验”在解决几何问题中的应用

阐述"数学实验"在解决几何问题时的可视化优点,列举"数学实验"的工具,给出具体实例,说明"数学实验"在分析、解决几何问题中的有效途径.     

氦原子1sns组态能量及其相对论修正

利用Mathemtica语言开发了一套计算氦原子1sns组态能量的程序.提出了构造氦原子1sns组态波函数的新方法,利用Rayleigh-Ritz变分法对氦原子1sns(n=2—5)组态的非相对论能量进行了计算,并计算了其相对论修正值(包括质量修正、单体达尔文修正、双体达尔文修正、自旋-自旋接触相互作用修正、轨道-轨道相互作用修正),计算结果与实验值相当接近. 关键词： 氦原子 能量 变分法 Mathemtica程序     

也谈均匀带电细圆环的电场分布

用Mathematica研究均匀带电细圆环的电场的空间分布,准确地绘制出电场强度量值的分布图和电场方向的分布图,并纠正了最近文献中一幅场强量值分布图的失误.     

菲涅耳衍射的数值计算

利用Mathematica软件分别计算了单缝衍射及双缝衍射的光强分布,成功解决了菲涅耳衍射的计算这一较难问题,并得到了双缝衍射向杨氏双逢干涉过渡的具体条件,完成了实验室内难以完成的任务.     

Simple evaluation of Franck–Condon factors and non‐Condon effects in the Morse potential

The calculation of Franck–Condon factors between different 1‐D Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a simple program written in Mathematica are compared with other calculations. We show that our results have a similar accuracy as those calculations performed with more sophisticated methods. We discuss the extension of our method to include non‐Condon effects in the calculation. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 280–295, 2002     

Stability criterion for small perturbations for a quasi-gasdynamic system of equations

The stability of small perturbations against a constant background is studied for a system of quasi-gasdynamic equations in an arbitrary number of space variables. It is established that, for a fixed adiabatic exponent γ, the stability is determined only by the background Mach number, and a necessary and sufficient condition for stability at any Mach number is $\gamma \leqslant \bar \gamma $ , where $\bar \gamma \approx 6.2479$ . The proof is based on a direct analysis of the corresponding complex characteristic numbers depending on several parameters. The multidimensional case is successfully reduced to the one-dimensional one. Then, the generalized Routh-Hurwitz criterion is applied in conjunction with analytical calculations based on Mathematica.