Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc034aac49ceccf3ce4d2912f650e443",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.353,
"b": 123.052,
"c": 261.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.520,3.100],
"number_observations": 154361,
"number_observations_unique": 59186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations": 11647,
"number_observations_unique": 4360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [76.520,13.860],
"number_observations": 1913,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
}
]
}