Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23d0238e1781f60f7331b92f321f181a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.344,
"b": 85.988,
"c": 93.415,
"alpha": 90.00,
"beta": 110.95,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.48,1.9],
"number_observations": 353938,
"number_observations_unique": 49842,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 22.94
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [40.48,5.65],
"number_observations": 13266,
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 50.90
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.48,4.01],
"number_observations": 25042,
"number_observations_unique": 3482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 51.64
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.19
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.48,3.28],
"number_observations": 31547,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 46.15
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.48,2.84],
"number_observations": 36922,
"number_observations_unique": 5230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 35.56
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.48,2.54],
"number_observations": 42242,
"number_observations_unique": 5878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 26.03
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 7.19
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.48,2.32],
"number_observations": 47396,
"number_observations_unique": 6493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.65
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [40.48,2.15],
"number_observations": 50834,
"number_observations_unique": 7003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 13.39
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 7.26
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [40.48,2.01],
"number_observations": 51996,
"number_observations_unique": 7504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 8.08
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [40.48,1.90],
"number_observations": 54693,
"number_observations_unique": 7830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 4.69
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
}
]
}