| lattice_stuff {cry} | R Documentation |
Calculation of useful lattice parameters
Description
Calculation of useful lattice parameters
Usage
lattice_stuff(a, b, c, aa, bb, cc)
Arguments
a |
A real number. One of the unit cell's side lengths, in angstroms. |
b |
A real number. One of the unit cell's side lengths, in angstroms. |
c |
A real number. One of the unit cell's side lengths, in angstroms. |
aa |
A real number. One of the unit cell's angles, in degrees. |
bb |
A real number. One of the unit cell's angles, in degrees. |
cc |
A real number. One of the unit cell's angles, in degrees. |
Value
A named vector of real numbers and length 16. The names are:
sa. Sine(aa)
sb. Sine(bb)
sc. Sine(cc)
ca. Cosine(aa)
cb. Cosine(bb)
cc. Cosine(cc)
ar. a* (reciprocal cell side length)
br. b* (reciprocal cell side length)
cr. c* (reciprocal cell side length)
sar. Sine of a reciprocal cell angle
sbr. Sine of a reciprocal cell angle
scr. Sine of a reciprocal cell angle
car. Cosine of a reciprocal cell angle
cbr. Cosine of a reciprocal cell angle
ccr. Cosine of a reciprocal cell angle
V. Volume of the unit cell in cubic angstroms
Examples
datadir <- system.file("extdata",package="cry")
fname <- file.path(datadir,"1dei_phases.mtz")
hdr <- readMTZHeader(fname,message=FALSE)
ucell <- hdr$CELL
vtmp <- lattice_stuff(ucell[1],ucell[2],ucell[3],ucell[4],ucell[5],ucell[6])
vtmp[1:3]
vtmp[4:6]
vtmp[7:9]
vtmp[10:12]
vtmp[13:15]
vtmp[16]