Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9392d3cc1806ecf3d40e021bc126fa74",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.094,
"b": 49.160,
"c": 60.221,
"alpha": 90.0,
"beta": 104.1,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.160,1.450],
"number_observations": 143402,
"number_observations_unique": 51724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [49.160,5.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}