Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52242c4139f5716cb088f8df4ca6fd1f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.853,
"b": 78.853,
"c": 37.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.620,1.600],
"number_observations": 72511,
"number_observations_unique": 15719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 2236,
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [13.620,8.620],
"number_observations": 457,
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 74.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}