Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a84a40c5c69d4d9fd0d8125babf3aaf8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 42.743,
"b": 85.814,
"c": 63.850,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.70],
"number_observations_unique": 25777,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.57
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.7],
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.406
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 5.42
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations_unique": 1762,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.148
},
{
"type": "I/SigI",
"value": 2.06
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 5.50
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [1.84,1.79],
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "I/SigI",
"value": 2.66
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 5.83
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [1.90,1.84],
"number_observations_unique": 1695,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 3.77
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 5.64
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [1.96,1.90],
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 4.94
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 5.54
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.03,1.96],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 6.86
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 5.98
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
}
]
}