{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c09a6b17a0d3c43bd2fba689e445d95",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.333,
"b": 94.262,
"c": 125.677,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.080],
"number_observations_unique": 57861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.080],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.749
},
{
"type": "R(meas)",
"value": 1.904
},
{
"type": "R(pim)",
"value": 0.735
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [2.150,2.120],
"number_observations_unique": 2859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.571
},
{
"type": "R(meas)",
"value": 1.693
},
{
"type": "R(pim)",
"value": 0.621
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 2855,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.194
},
{
"type": "R(meas)",
"value": 1.284
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.103
},
{
"type": "R(meas)",
"value": 1.186
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [2.290,2.240],
"number_observations_unique": 2849,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "R(meas)",
"value": 1.110
},
{
"type": "R(pim)",
"value": 0.402
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [2.340,2.290],
"number_observations_unique": 2868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.863
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [2.400,2.340],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [2.470,2.400],
"number_observations_unique": 2873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations_unique": 2872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [2.620,2.540],
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations_unique": 2872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.820,2.710],
"number_observations_unique": 2878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.950,2.820],
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.110,2.950],
"number_observations_unique": 2888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.300,3.110],
"number_observations_unique": 2870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.910,3.560],
"number_observations_unique": 2937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.480,3.910],
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.640,4.480],
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.640],
"number_observations_unique": 3148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}
|