Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "aa5ce00f6dfc583835c48c9e00418ba7",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 95.074,
"b": 95.074,
"c": 139.094,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97936],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.34,2.07],
"number_observations_unique": 23166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 36.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.35,2.31],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.171
},
{
"type": "R(meas)",
"value": 1.210
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.497
}
]
},
{
"resolution_limits": [2.39,2.35],
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.158
},
{
"type": "R(meas)",
"value": 1.194
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 16.2
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [2.44,2.39],
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.204
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 19.1
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [2.49,2.44],
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.200
},
{
"type": "R(meas)",
"value": 1.226
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 23.8
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [2.54,2.49],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.242
},
{
"type": "R(meas)",
"value": 1.264
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.3
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.60,2.54],
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.266
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 30.5
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [2.67,2.60],
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.149
},
{
"type": "R(meas)",
"value": 1.167
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.0
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.74,2.67],
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.155
},
{
"type": "R(meas)",
"value": 1.171
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.6
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.82,2.74],
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 38.7
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.91,2.82],
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.060
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 39.4
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.01,2.91],
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 40.2
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.13,3.01],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 40.1
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.28,3.13],
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.633
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 40.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.45,3.28],
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 40.0
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.67,3.45],
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 39.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.95,3.67],
"number_observations_unique": 893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 37.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.35,3.95],
"number_observations_unique": 899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 34.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.98,4.35],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.27,4.98],
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,6.27],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 33.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}