hkl_to_reso | R Documentation |
Calculates resolution, given the Miller indices
hkl_to_reso(h, k, l, a, b, c, aa, bb, cc)
h |
An integer, A Miller index. |
k |
An integer, A Miller index. |
l |
An integer, A Miller index. |
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. |
A positive, real number. The resolution associated with (h,k,l), in angstroms.
datadir <- system.file("extdata",package="cry") fname <- file.path(datadir,"1dei_phases.mtz") hdr <- readMTZHeader(fname,message=FALSE) ucell <- hdr$CELL reso1 <- hkl_to_reso(1,0,0,ucell[1],ucell[2],ucell[3],ucell[4],ucell[5],ucell[6]) print(reso1) # Low resolution reso2 <- hkl_to_reso(20,20,20,ucell[1],ucell[2],ucell[3],ucell[4],ucell[5],ucell[6]) reso2 # High resolution
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