Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b81226912e5556224ed441956ebae469",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.96,
"b": 41.32,
"c": 58.67,
"alpha": 101.57,
"beta": 99.46,
"gamma": 100.54
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.460,2.100],
"number_observations": 80533,
"number_observations_unique": 20704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [39.460,8.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}