Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17b7be396d34af4e7d67a68b814ac9f9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 199.751,
"b": 48.261,
"c": 117.754,
"alpha": 90.00,
"beta": 123.47,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.43,2.520],
"number_observations_unique": 31568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.520],
"number_observations": 7831,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [29.410,11.290],
"number_observations": 1059,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}