Replies: 3 comments 4 replies
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Suggested split of the existing items in the GPhL extension: gphl-proc-iso-stats-extension.dic_reflns.gphl_percent_possible_spherical_obs _reflns_shell.gphl_percent_possible_spherical_all gphl-proc-aniso-stats-extension.dic_reflns.gphl_aniso_diffraction_limit_axis_1_ortho[1] _reflns.gphl_percent_possible_ellipsoidal_obs _reflns_shell.gphl_percent_possible_ellipsoidal_all gphl-proc-unmerged-extension.dic_diffrn_refln.gphl_image_id gphl-proc-signal-extension.dic_reflns.gphl_observed_signal_threshold _gphl_refln_signal_binning.ordinal _refln.gphl_signal gphl-proc-refln-mult-extension.dic_refln.gphl_number_obs |
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I would be inclined to split a little bit further with: gphl-proc-iso-stats-extension.dic_reflns.gphl_percent_possible_spherical_obs gphl-proc-anomalous-stats-extension.dic_reflns.gphl_redundancy_anomalous and rename gphl-proc-aniso-stats-extension.dic to just gphl-proc-aniso-extension.dic (since it doesn't contain only stats). Does that make sense? |
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OK, let's do that then. |
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On second thoughts, I'm not sure about this, and it is starting to look to me as if the four |
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This is what I am about to commit: gphl-proc-aniso-extension.dic_reflns.gphl_aniso_diffraction_limit_axis_1_ortho[1] gphl-proc-anomalous-stats-extension.dic_reflns.gphl_redundancy_anomalous gphl-proc-refln-mult-extension.dic_refln.gphl_number_obs gphl-proc-signal-extension.dic_reflns.gphl_observed_signal_threshold gphl-proc-unmerged-extension.dic_diffrn_refln.gphl_image_id |
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Committed: 764df5f |
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Hi Peter,
looks very good - there might be the odd renaming (_obs/_all
discussion), but the split seems to be the best we can do.
Thanks!
Clemens
…On Wed, Jan 27, 2021 at 06:03:16AM -0800, Peter Keller wrote:
This is what I am about to commit:
### gphl-proc-aniso-extension.dic
_reflns.gphl_aniso_diffraction_limit_axis_1_ortho[1]
_reflns.gphl_aniso_diffraction_limit_axis_1_ortho[2]
_reflns.gphl_aniso_diffraction_limit_axis_1_ortho[3]
_reflns.gphl_aniso_diffraction_limit_axis_2_ortho[1]
_reflns.gphl_aniso_diffraction_limit_axis_2_ortho[2]
_reflns.gphl_aniso_diffraction_limit_axis_2_ortho[3]
_reflns.gphl_aniso_diffraction_limit_axis_3_ortho[1]
_reflns.gphl_aniso_diffraction_limit_axis_3_ortho[2]
_reflns.gphl_aniso_diffraction_limit_axis_3_ortho[3]
_reflns.gphl_aniso_diffraction_limit_1
_reflns.gphl_aniso_diffraction_limit_2
_reflns.gphl_aniso_diffraction_limit_3
_reflns.gphl_aniso_B_tensor_eigenvector_1_ortho[1]
_reflns.gphl_aniso_B_tensor_eigenvector_1_ortho[2]
_reflns.gphl_aniso_B_tensor_eigenvector_1_ortho[3]
_reflns.gphl_aniso_B_tensor_eigenvector_2_ortho[1]
_reflns.gphl_aniso_B_tensor_eigenvector_2_ortho[2]
_reflns.gphl_aniso_B_tensor_eigenvector_2_ortho[3]
_reflns.gphl_aniso_B_tensor_eigenvector_3_ortho[1]
_reflns.gphl_aniso_B_tensor_eigenvector_3_ortho[2]
_reflns.gphl_aniso_B_tensor_eigenvector_3_ortho[3]
_reflns.gphl_aniso_B_tensor_eigenvalue_1
_reflns.gphl_aniso_B_tensor_eigenvalue_2
_reflns.gphl_aniso_B_tensor_eigenvalue_3
_reflns.gphl_orthogonalization_convention
_reflns.gphl_percent_possible_ellipsoidal_obs
_reflns.gphl_percent_possible_spherical_obs
_reflns.gphl_percent_possible_ellipsoidal_obs_anomalous
_reflns.gphl_percent_possible_spherical_obs_anomalous
_reflns_shell.gphl_percent_possible_ellipsoidal_all
_reflns_shell.gphl_percent_possible_spherical_all
_reflns_shell.gphl_percent_possible_ellipsoidal_obs_anomalous
_reflns_shell.gphl_percent_possible_spherical_obs_anomalous
### gphl-proc-anomalous-stats-extension.dic
_reflns.gphl_redundancy_anomalous
_reflns.gphl_CC_half_anomalous
_reflns.gphl_absDiff_over_sigma_anomalous
_reflns.gphl_percent_possible_obs_anomalous
_reflns_shell.gphl_redundancy_anomalous
_reflns_shell.gphl_CC_half_anomalous
_reflns_shell.gphl_absDiff_over_sigma_anomalous
_reflns_shell.gphl_percent_possible_obs_anomalous
### gphl-proc-refln-mult-extension.dic
_refln.gphl_number_obs
_refln.gphl_number_obs_plus
_refln.gphl_number_obs_minus
### gphl-proc-signal-extension.dic
_reflns.gphl_observed_signal_threshold
_reflns.gphl_signal_type
_reflns.gphl_signal_details
_reflns.gphl_signal_software_id
_gphl_refln_signal_binning.ordinal
_gphl_refln_signal_binning.upper_threshold
_refln.gphl_signal
_refln.gphl_signal_status
### gphl-proc-unmerged-extension.dic
_diffrn_refln.gphl_image_id
_diffrn_refln.gphl_detector_x
_diffrn_refln.gphl_detector_y
_diffrn_refln.gphl_rotation_angle
_diffrn_refln.gphl_scale_value
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At the mmCIF WG subgroup on 2021-01-19, we discussed splitting up the single extension file so that it could be approved in sections. At the GPhL chat afterwards with @CV-GPhL and @GB-GPhL we agreed that we needed the following sections:
On closer examination, this doesn't cover everything:
_reflns.gphl_percent_possible_spherical_obsand_reflns_shell.gphl_percent_possible_spherical_allcan presumably be included in the anomalous statistics section (which we could call something else)diffrn_reflncategory (unmerged reflections) don't fall into any of the aboveThese are my initial suggestions for the new extension filenames that are going to replace gphl-proc-extension.dic:
This splitting up can't realistically be done until pull request #4 has been merged, except by dropping the pull request and applying the changes to the split files.
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