Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "405d07cd44850615c6146f71754cb3a1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.38,
"b": 78.52,
"c": 32.60,
"alpha": 90.00,
"beta": 94.99,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.260,1.650],
"number_observations_unique": 29971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 73.700
},
{
"type": "Redundancy",
"value": 6.380
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.65],
"number_observations": 142,
"number_observations_unique": 84,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 2.10
},
{
"type": "Redundancy",
"value": 1.69
}
]
},
{
"resolution_limits": [1.78,1.71],
"number_observations": 2741,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 20.30
},
{
"type": "Redundancy",
"value": 3.35
}
]
},
{
"resolution_limits": [1.86,1.78],
"number_observations": 6605,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 44.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.96,1.86],
"number_observations": 12480,
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 72.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.08,1.96],
"number_observations": 22828,
"number_observations_unique": 3895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 5.86
}
]
},
{
"resolution_limits": [2.24,2.08],
"number_observations": 28243,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.94
}
]
},
{
"resolution_limits": [2.46,2.24],
"number_observations": 28902,
"number_observations_unique": 4054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.12
}
]
},
{
"resolution_limits": [2.82,2.46],
"number_observations": 29713,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.27
}
]
},
{
"resolution_limits": [3.55,2.82],
"number_observations": 30130,
"number_observations_unique": 4099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.28
}
]
},
{
"resolution_limits": [39.26,3.55],
"number_observations": 30878,
"number_observations_unique": 4128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.25
}
]
}
]
}