Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5641c029a96ca23ce04d53bfafd0f5a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.235,
"b": 56.494,
"c": 75.545,
"alpha": 90.00,
"beta": 96.23,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.650,2.000],
"number_observations": 78055,
"number_observations_unique": 26499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 5819,
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [19.650,8.940],
"number_observations": 818,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}