Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d66ae617b05572c7ee51547392b83e01",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 169.914,
"b": 63.236,
"c": 142.646,
"alpha": 90.00,
"beta": 118.07,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.270,2.800],
"number_observations": 99409,
"number_observations_unique": 31664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 15009,
"number_observations_unique": 4741,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [58.270,8.850],
"number_observations": 3003,
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}