Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "696dea059abcf7c57d06f06219cc5b8d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.509,
"b": 71.509,
"c": 150.869,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.210],
"number_observations": 1207446,
"number_observations_unique": 117170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 10630,
"number_observations_unique": 4506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 77.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.563
}
]
},
{
"resolution_limits": [29.440,6.620],
"number_observations": 10624,
"number_observations_unique": 872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}