Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a92b03481bc7dde7758bf772f90452b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 153.003,
"b": 65.616,
"c": 29.026,
"alpha": 90.000,
"beta": 97.122,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.070,1.700],
"number_observations": 107846,
"number_observations_unique": 29381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 5410,
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.487
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [40.070,8.990],
"number_observations": 706,
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}