Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "522676f1ca3e6e99708c50d5f2478d57",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 95.48,
"b": 96.80,
"c": 114.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.190,3.100],
"number_observations": 83521,
"number_observations_unique": 19607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations_unique": 3534,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.324
},
{
"type": "R(meas)",
"value": 2.595
},
{
"type": "R(pim)",
"value": 1.132
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [49.190,8.770],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}