Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6f30dd5e1b069f0ad3d70fd55de1af0",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.910,
"b": 75.235,
"c": 118.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.620,2.520],
"number_observations": 80314,
"number_observations_unique": 9254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.520],
"number_observations": 8772,
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.148
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [37.620,9.090],
"number_observations": 1788,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}