Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd231f26d14012865cb4fa9f5a16abae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.54,
"b": 63.90,
"c": 39.13,
"alpha": 90.00,
"beta": 101.64,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.120,1.970],
"number_observations": 100911,
"number_observations_unique": 29265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 6398,
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [42.120,8.820],
"number_observations": 1196,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}