Re: Version 0.9.0 sent to COMCIFS for review ....
Jiansheng Jiang (jiang@bach.pdb.bnl.gov)
Thu, 30 Jan 1997 22:21:32 -0500
John,
I just found the differences between us are:
> _phasing_MIR_refln.der_id . . . . . . . . . . . . . . 74
> _phasing_MIR_refln.F_calc . . . . . . . . . . . . . . 79
> _phasing_MIR_refln.F_calc_au . . . . . . . . . . . . . 85
> _phasing_MIR_refln.F_meas . . . . . . . . . . . . . . 91 99 104
> _phasing_MIR_refln.F_meas_au . . . . . . . . . . . . . 95
> _phasing_MIR_refln.F_meas_sigma . . . . . . . . . . . 98
> _phasing_MIR_refln.F_meas_sigma_au . . . . . . . . . . 103
> _phasing_MIR_refln.index_h . . . . . . . . . . . . . . 108
> _phasing_MIR_refln.index_k . . . . . . . . . . . . . . 112
> _phasing_MIR_refln.index_l . . . . . . . . . . . . . . 116
> _phasing_MIR_refln.phase_calc . . . . . . . . . . . . 120
###########################
## PHASING_MIR_DER_REFLN ##
###########################
save_PHASING_MIR_DER_REFLN
_category.description
; Data items in the PHASING_MIR_DER_REFLN category record details
about the calculated structure factors obtained in an MIR
phasing experiment.
This list may contain information from a number of different
derivatives; _phasing_MIR_der_refln.der_id indicates to which
derivative a given record corresponds. (A derivative in this
context does not necessary equate with a data set; see the
definition of the PHASING_MIR_DER dategory for a more
thorough discussion of the meaning of derivative.)
It is not necessary for the data items describing the measured
value of F to appear in this list, as they will already have
been given in the PHASING_SET_REFLN category. However, these
items may also be listed here for completeness, if desired.
;
_category.id phasing_MIR_der_refln
_category.mandatory_code no
loop_
_category_key.name '_phasing_MIR_der_refln.index_h'
'_phasing_MIR_der_refln.index_k'
'_phasing_MIR_der_refln.index_l'
'_phasing_MIR_der_refln.der_id'
'_phasing_MIR_der_refln.set_id'
loop_
_category_group.id 'inclusive_group'
'phasing_group'
loop_
_category_examples.detail
_category_examples.case
#
--
====================================================================
Jiansheng Jiang Ph.D. |
Protein Data Bank | Phone: (516) 344-6388
Biology Department, Bldg 463 | Fax: (516) 344-5751
Brookhaven National Laboratory | mailto://jiang@bnl.gov
Upton NY 11973-5000, USA | http://www.pdb.bnl.gov/~jiang
====================================================================