Schmid M F, Dargahi R, Tam M W
Verna and Marrs McLean Department of Biochemistry, Baylor College of Medicine, Houston, TX 77030.
Ultramicroscopy. 1993 Mar;48(3):251-64. doi: 10.1016/0304-3991(93)90099-j.
SPECTRA is a program system that combines well tested and familiar algorithms and advanced graphics tools for (i) the display and indexing of the Fourier transform of images of crystalline specimens, (ii) refinement of the reciprocal lattice, (iii) output of amplitudes and phases of reflections and (iv) lattice distortion correction through cross-correlation map analysis. Because of the ease of identifying and indexing reflections, the user can include many reflections for reciprocal lattice refinement, leading to more accurate lattice determination. Automatic indexing is much faster than entering indices by hand, with less operator error. The user can run the procedure that corrects for lattice distortions with either standard parameters or storable parameters tailored to a particular specimen. SPECTRA's primary function is as a control program which acts as an interface between existing programs and the user. It was written in C with routines for the display, user interface and peak list search. Communication between the separate processes that make up SPECTRA is via the UNIX pipe mechanism and command files, the latter so that users may run, test or replace them or even run them as stand-alone programs outside this system.
SPECTRA是一个程序系统，它结合了经过充分测试且为人熟知的算法以及先进的图形工具，用于：（i）显示和索引晶体标本图像的傅里叶变换；（ii）倒易晶格的精修；（iii）反射振幅和相位的输出；以及（iv）通过互相关图分析进行晶格畸变校正。由于易于识别和索引反射，用户可以纳入许多反射用于倒易晶格精修，从而实现更精确的晶格确定。自动索引比手动输入索引快得多，且操作员误差更小。用户可以使用标准参数或针对特定标本定制的可存储参数来运行校正晶格畸变的程序。SPECTRA的主要功能是作为一个控制程序，充当现有程序与用户之间的接口。它是用C语言编写的，带有用于显示、用户界面和峰列表搜索的例程。构成SPECTRA的各个进程之间的通信是通过UNIX管道机制和命令文件进行的，后者使用户可以运行、测试或替换它们，甚至可以在该系统之外作为独立程序运行。
