Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88ba359033eb28dc7555a9893fa89cf6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.839,
"b": 148.287,
"c": 64.925,
"alpha": 90.00,
"beta": 100.38,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.20],
"number_observations": 181662,
"number_observations_unique": 31632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.20],
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [2.28,2.24],
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [2.37,2.32],
"number_observations_unique": 2722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 2739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [2.54,2.48],
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.61,2.54],
"number_observations_unique": 2734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [2.69,2.61],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.77,2.69],
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.87,2.77],
"number_observations_unique": 2687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.99,2.87],
"number_observations_unique": 2771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.12,2.99],
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.29,3.12],
"number_observations_unique": 2786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.49,3.29],
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [3.76,3.49],
"number_observations_unique": 2777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.14,3.76],
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.74,4.14],
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [5.97,4.74],
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [50.00,5.97],
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}