Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25f197285a8ba9e93cebb8592757920f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.21,
"b": 79.48,
"c": 58.20,
"alpha": 90.00,
"beta": 115.72,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.160,1.390],
"number_observations": 310905,
"number_observations_unique": 89266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 23107,
"number_observations_unique": 6569,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [42.160,6.220],
"number_observations": 3162,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
}
]
}