Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e921c37f82dfb8c2ce5ffd3fa3f360f6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.079,
"b": 102.253,
"c": 127.124,
"alpha": 90.00,
"beta": 106.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.4630,1.440],
"number_observations_unique": 412199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.440],
"number_observations": 44356,
"number_observations_unique": 13329,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.263
},
{
"type": "R(meas)",
"value": 1.506
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 60.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [48.460,7.890],
"number_observations": 8672,
"number_observations_unique": 2495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}