Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "223c8762351e974d2fcf2526e4dbb05b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.176,
"b": 112.984,
"c": 187.820,
"alpha": 90.00,
"beta": 92.26,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [187.674,2.085],
"number_observations": 2007970,
"number_observations_unique": 169651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.314,2.085],
"number_observations": 111079,
"number_observations_unique": 8484,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.776
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [187.674,6.525],
"number_observations": 101379,
"number_observations_unique": 8482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.9
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}