Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d4e8dbc7a03f86d9aa2f5a2751aaf47",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.53,
"b": 149.35,
"c": 79.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.520],
"number_observations_unique": 48558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.57,1.52],
"number_observations": 31057,
"number_observations_unique": 4775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 6.48
}
]
},
{
"resolution_limits": [1.64,1.57],
"number_observations": 32047,
"number_observations_unique": 4777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.68
}
]
},
{
"resolution_limits": [1.71,1.64],
"number_observations": 33784,
"number_observations_unique": 4813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.98
}
]
},
{
"resolution_limits": [1.80,1.71],
"number_observations": 36332,
"number_observations_unique": 4829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.45
}
]
},
{
"resolution_limits": [1.91,1.80],
"number_observations": 40045,
"number_observations_unique": 4805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.24
}
]
},
{
"resolution_limits": [2.06,1.91],
"number_observations": 41474,
"number_observations_unique": 4829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.49
}
]
},
{
"resolution_limits": [2.27,2.06],
"number_observations": 42887,
"number_observations_unique": 4863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.73
}
]
},
{
"resolution_limits": [2.60,2.27],
"number_observations": 43664,
"number_observations_unique": 4864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.92
}
]
},
{
"resolution_limits": [3.27,2.60],
"number_observations": 44425,
"number_observations_unique": 4920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.98
}
]
},
{
"resolution_limits": [19.91,3.27],
"number_observations": 44512,
"number_observations_unique": 5083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 62.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.70
}
]
}
]
}