Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d46e0932f4c9b63b96faab5b36b7cc7c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.665,
"b": 88.665,
"c": 39.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.650,1.050],
"number_observations": 912066,
"number_observations_unique": 142025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.422
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 141524,
"number_observations_unique": 22754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 2.120
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.220
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 137690,
"number_observations_unique": 21505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 3.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.403
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 129244,
"number_observations_unique": 20033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.452
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 121611,
"number_observations_unique": 18473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 8.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.583
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 110075,
"number_observations_unique": 16713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.586
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 97159,
"number_observations_unique": 14764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.581
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 78314,
"number_observations_unique": 12517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.257
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 61919,
"number_observations_unique": 9756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.347
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [39.650,3.150],
"number_observations": 34530,
"number_observations_unique": 5510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.267
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}