Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "138c0c32f0d0d480dc732c29b4cda846",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 68.962,
"b": 170.409,
"c": 64.323,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,2.930],
"number_observations": 427046,
"number_observations_unique": 16878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,2.930],
"number_observations": 66451,
"number_observations_unique": 2651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 25.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [29.480,8.790],
"number_observations": 14964,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}