Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fa6c491a86c1ac0d32b8549eb88b3d3",
"space_group_name": "P 1",
"unit_cell": {
"a": 70.83,
"b": 74.13,
"c": 79.73,
"alpha": 64.59,
"beta": 69.76,
"gamma": 66.57
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.950,2.530],
"number_observations": 123306,
"number_observations_unique": 42064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.530],
"number_observations": 8992,
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [40.950,11.310],
"number_observations": 1214,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}