Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3b8a1ac5768009073f6c3ad92620e96",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.426,
"b": 81.627,
"c": 93.101,
"alpha": 90.00,
"beta": 108.33,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.19,1.54],
"number_observations": 645100,
"number_observations_unique": 93896,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.65
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.19,4.59],
"number_observations": 24966,
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 41.54
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.19,3.25],
"number_observations": 44965,
"number_observations_unique": 6481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.43
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.19,2.66],
"number_observations": 57523,
"number_observations_unique": 8311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.03
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.19,2.30],
"number_observations": 69463,
"number_observations_unique": 9855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 21.62
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.19,2.06],
"number_observations": 76523,
"number_observations_unique": 11111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 14.02
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [44.19,1.88],
"number_observations": 83192,
"number_observations_unique": 12265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 7.26
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [44.19,1.74],
"number_observations": 91075,
"number_observations_unique": 13308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.63
},
{
"type": "I/SigI",
"value": 3.22
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.91
}
]
},
{
"resolution_limits": [44.19,1.63],
"number_observations": 98275,
"number_observations_unique": 14297,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.238
},
{
"type": "R(meas)",
"value": 1.34
},
{
"type": "I/SigI",
"value": 1.47
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [44.19,1.54],
"number_observations": 99118,
"number_observations_unique": 14631,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.451
},
{
"type": "R(meas)",
"value": 2.654
},
{
"type": "I/SigI",
"value": 0.68
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
}
]
}