Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c7f44fecc1f36f8d44167e4b5339209",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.254,
"b": 72.845,
"c": 52.570,
"alpha": 90.00,
"beta": 109.27,
"gamma": 90.00
},
"wavelengths": [0.89440],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.718,1.380],
"number_observations": 275267,
"number_observations_unique": 66059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 17.320
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.166
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.380],
"number_observations": 43024,
"number_observations_unique": 10526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 2.960
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [1.560,1.460],
"number_observations": 41717,
"number_observations_unique": 10036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 4.540
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [1.690,1.560],
"number_observations": 38977,
"number_observations_unique": 9332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 6.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.850,1.690],
"number_observations": 36080,
"number_observations_unique": 8589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 11.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.070,1.850],
"number_observations": 32676,
"number_observations_unique": 7774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 19.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.390,2.070],
"number_observations": 28974,
"number_observations_unique": 6911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.860
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.920,2.390],
"number_observations": 24428,
"number_observations_unique": 5812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 35.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.120,2.920],
"number_observations": 18915,
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.718,4.120],
"number_observations": 10476,
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 55.110
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}