Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b96fcdb5dd71bd359e177678fcec6b33",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.67,
"b": 82.67,
"c": 133.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.500,2.410],
"number_observations": 421697,
"number_observations_unique": 21086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.410],
"number_observations": 32642,
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.425
},
{
"type": "R(meas)",
"value": 2.484
},
{
"type": "R(pim)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [39.500,10.780],
"number_observations": 3546,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}