Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6b8bf17d29bceacb8d6b8a3f3d4e51f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.331,
"b": 73.096,
"c": 52.817,
"alpha": 90.00,
"beta": 109.56,
"gamma": 90.00
},
"wavelengths": [0.89440],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.715,1.280],
"number_observations": 347884,
"number_observations_unique": 83393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 17.630
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.171
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.280],
"number_observations": 54429,
"number_observations_unique": 13357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations": 52163,
"number_observations_unique": 12619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 4.820
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [1.570,1.450],
"number_observations": 49136,
"number_observations_unique": 11796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.720,1.570],
"number_observations": 45514,
"number_observations_unique": 10859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 11.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.920,1.720],
"number_observations": 41446,
"number_observations_unique": 9826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 18.520
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.210,1.920],
"number_observations": 36807,
"number_observations_unique": 8702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.710,2.210],
"number_observations": 31120,
"number_observations_unique": 7334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.820,2.710],
"number_observations": 24206,
"number_observations_unique": 5710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 47.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.715,3.820],
"number_observations": 13063,
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 53.920
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}