Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69da495b76bc485afea17ce94fcc0df9",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.79,
"b": 75.62,
"c": 118.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.810,2.250],
"number_observations": 74351,
"number_observations_unique": 13690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 5984,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.548
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [37.810,8.980],
"number_observations": 1130,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}