Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c06c905929a671d2c1cfe79c125f3e0",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.165,
"b": 60.165,
"c": 95.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.630],
"number_observations": 204293,
"number_observations_unique": 25545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.990,1.930],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.050,1.990],
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.210,2.130],
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 1258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.590,2.430],
"number_observations_unique": 1286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.790,2.590],
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.070,2.790],
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.510,3.070],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [40.000,4.420],
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.700
}
]
}
]
}