Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b2378fcc3c115ee7313c49ef0c7b071",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.592,
"b": 82.079,
"c": 93.849,
"alpha": 90.00,
"beta": 108.34,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.04,1.57],
"number_observations": 599055,
"number_observations_unique": 88839,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.44
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [41.04,4.66],
"number_observations": 23475,
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 40.49
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.67
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [41.04,3.30],
"number_observations": 39831,
"number_observations_unique": 6266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 37.46
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.36
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [41.04,2.70],
"number_observations": 49842,
"number_observations_unique": 8020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 28.69
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.21
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [41.04,2.34],
"number_observations": 61236,
"number_observations_unique": 9427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 21.05
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [41.04,2.09],
"number_observations": 71495,
"number_observations_unique": 10627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 13.75
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [41.04,1.91],
"number_observations": 79032,
"number_observations_unique": 11692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 7.32
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [41.04,1.77],
"number_observations": 88679,
"number_observations_unique": 12696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 3.20
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [41.04,1.65],
"number_observations": 95609,
"number_observations_unique": 13513,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.085
},
{
"type": "R(meas)",
"value": 1.17
},
{
"type": "I/SigI",
"value": 1.41
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [41.04,1.56],
"number_observations": 89856,
"number_observations_unique": 13077,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.106
},
{
"type": "R(meas)",
"value": 2.274
},
{
"type": "I/SigI",
"value": 0.64
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
}
]
}