Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "03b1a5e683b0a24fd2d5016de279650b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.249,
"b": 50.104,
"c": 96.556,
"alpha": 90.00,
"beta": 104.47,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.420,1.300],
"number_observations": 526365,
"number_observations_unique": 138836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 19267,
"number_observations_unique": 5808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [25.420,7.120],
"number_observations": 2790,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}