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Input of Least Squares Data

Wherever possible, the point at which these other data (which we will call reflection data ) are read is accessible to the user, so that if he has data in some strange format he can still read them. An example of this is in the various Least Squares Refinement main programs like SFLSQ, MAGLSQ, which actually contain the READ and FORMAT statements for the reflection data. Several alternative formats are already provided; there is also a data input type 0, indicating that the data will be provided, a line at a time, by successive calls to SUBROUTINE QLSQIN, which the user must provide.

In general, any SUBROUTINE QxxxIN is a user-provided input routine for reflection data. (The user need not concern himself with special formats or a routine QLSQIN if he has data in some standard format known to the system; there is a dummy routine QLSQIN in the Library, which will be superseded by any routine of the same name if the user provides one.)


next up previous
Next: Input of Fourier Data Up: INPUT AND OUTPUT OF Previous: Introduction
P.J. Brown - Institut Laue Langevin, Grenoble, FRANCE. e-mail brown@ill.fr