Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54829fce0de4ec06bb5346aefa0f80ab",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 98.512,
"b": 174.844,
"c": 208.034,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.750],
"number_observations": 1353203,
"number_observations_unique": 177979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations_unique": 8822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [1.810,1.780],
"number_observations_unique": 8773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [1.850,1.810],
"number_observations_unique": 8842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [1.890,1.850],
"number_observations_unique": 8779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [1.930,1.890],
"number_observations_unique": 8870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 8823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.020,1.970],
"number_observations_unique": 8839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 8813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 8877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations_unique": 8856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 8913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 8862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 8935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 8896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.780,2.610],
"number_observations_unique": 8952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.990,2.780],
"number_observations_unique": 8938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 8964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.770,3.290],
"number_observations_unique": 9014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.740,3.770],
"number_observations_unique": 9043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [30.000,4.740],
"number_observations_unique": 9168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
}
]
}