Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4efebf6c8088e784d5a79152fa466cf6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.683,
"b": 57.734,
"c": 46.654,
"alpha": 90.00,
"beta": 98.86,
"gamma": 90.00
},
"wavelengths": [1.03316],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.690,1.550],
"number_observations": 184520,
"number_observations_unique": 50109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 8045,
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [29.690,8.470],
"number_observations": 996,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}