Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed4a652fb1bfb29b88e8ad39a93835c8",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 114.337,
"b": 114.337,
"c": 123.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.66,2.950],
"number_observations_unique": 10632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.06,2.95],
"number_observations_unique": 984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [3.18,3.06],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 17.80
}
]
},
{
"resolution_limits": [3.32,3.18],
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.10
}
]
},
{
"resolution_limits": [3.50,3.32],
"number_observations_unique": 1043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.70
}
]
},
{
"resolution_limits": [3.72,3.50],
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.60
}
]
},
{
"resolution_limits": [4.00,3.72],
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.50
}
]
},
{
"resolution_limits": [4.41,4.00],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.40
}
]
},
{
"resolution_limits": [5.04,4.41],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.90
}
]
},
{
"resolution_limits": [6.35,5.04],
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.70
}
]
},
{
"resolution_limits": [50.00,6.35],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 18.90
}
]
}
]
}