Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f1a03e9e47de5304b7b77f91b7c9ec2",
"space_group_name": "P 1",
"unit_cell": {
"a": 68.564,
"b": 75.834,
"c": 83.264,
"alpha": 65.38,
"beta": 88.87,
"gamma": 65.08
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.430,1.840],
"number_observations": 695699,
"number_observations_unique": 112996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations": 18384,
"number_observations_unique": 4925,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.578
},
{
"type": "R(pim)",
"value": 0.927
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 84.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [28.430,10.080],
"number_observations": 4781,
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}