Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8ff2452ff1c7e80118cdb5fa1eccef7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.024,
"b": 81.657,
"c": 94.429,
"alpha": 90.00,
"beta": 109.07,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.83,1.59],
"number_observations": 584627,
"number_observations_unique": 85016,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.91
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [40.83,4.74],
"number_observations": 22349,
"number_observations_unique": 3292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 47.26
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.83,3.36],
"number_observations": 39823,
"number_observations_unique": 5846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 44.07
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.83,2.74],
"number_observations": 50980,
"number_observations_unique": 7497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.62
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.83,2.38],
"number_observations": 62479,
"number_observations_unique": 8874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.55
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.83,2.13],
"number_observations": 71118,
"number_observations_unique": 10045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.15
},
{
"type": "I/SigI",
"value": 10.77
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [40.83,1.94],
"number_observations": 75296,
"number_observations_unique": 11049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 5.12
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [40.83,1.80],
"number_observations": 82851,
"number_observations_unique": 12079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.64
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 2.09
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [40.83,1.68],
"number_observations": 88974,
"number_observations_unique": 12916,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.495
},
{
"type": "R(meas)",
"value": 1.616
},
{
"type": "I/SigI",
"value": 0.83
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [40.83,1.59],
"number_observations": 90757,
"number_observations_unique": 13418,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.283
},
{
"type": "R(meas)",
"value": 3.555
},
{
"type": "I/SigI",
"value": 0.30
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.265
}
]
}
]
}