Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1877c28e0c05419d96cf684615499ed",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.537,
"b": 82.127,
"c": 93.835,
"alpha": 90.00,
"beta": 107.97,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.11,1.55],
"number_observations": 642697,
"number_observations_unique": 92676,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.07
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [42.11,4.62],
"number_observations": 24625,
"number_observations_unique": 3567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 42.04
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.11,3.28],
"number_observations": 45078,
"number_observations_unique": 6379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 39.88
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.11,2.68],
"number_observations": 57286,
"number_observations_unique": 8179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 28.89
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.11,2.32],
"number_observations": 68596,
"number_observations_unique": 9641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 19.82
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [42.11,2.08],
"number_observations": 76091,
"number_observations_unique": 10906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 12.54
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [42.11,1.90],
"number_observations": 83036,
"number_observations_unique": 12103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 6.65
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [42.11,1.75],
"number_observations": 90276,
"number_observations_unique": 13127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "I/SigI",
"value": 3.01
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [42.11,1.64],
"number_observations": 97079,
"number_observations_unique": 14046,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.631
},
{
"type": "I/SigI",
"value": 1.43
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [42.11,1.55],
"number_observations": 100630,
"number_observations_unique": 14728,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.841
},
{
"type": "R(meas)",
"value": 3.078
},
{
"type": "I/SigI",
"value": 0.68
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
}
]
}