Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4de5c9db8ffa75b77f96356130c85b3f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.04,
"b": 112.00,
"c": 62.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93570],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.970,2.300],
"number_observations": 63050,
"number_observations_unique": 13246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 5697,
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.698
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [24.970,8.910],
"number_observations": 1139,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}