Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d20916ae1b3079f6ae297dfe95bb7b4b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 74.273,
"b": 86.977,
"c": 167.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.918,2.450],
"number_observations_unique": 20120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.450],
"number_observations": 8501,
"number_observations_unique": 2913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.740,2.580],
"number_observations": 8871,
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.930,2.740],
"number_observations": 8876,
"number_observations_unique": 2580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.160,2.930],
"number_observations": 8700,
"number_observations_unique": 2431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.460,3.160],
"number_observations": 8235,
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.870,3.460],
"number_observations": 7494,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.470,3.870],
"number_observations": 6573,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.480,4.470],
"number_observations": 5623,
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.750,5.480],
"number_observations": 4325,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [19.646,7.750],
"number_observations": 1885,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}