Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d5a2f5c6c6700eee7c52212e7b1142f",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.690,
"b": 88.690,
"c": 39.356,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,1.050],
"number_observations": 916174,
"number_observations_unique": 141561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 18.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.472
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 141732,
"number_observations_unique": 22613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 2.450
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.268
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 137953,
"number_observations_unique": 21460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.428
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 129394,
"number_observations_unique": 20013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 6.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.465
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 121544,
"number_observations_unique": 18437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.592
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 110423,
"number_observations_unique": 16667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.625
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 98106,
"number_observations_unique": 14754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 29.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.649
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 79356,
"number_observations_unique": 12444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.377
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 62913,
"number_observations_unique": 9697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 58.660
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.488
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.350,3.150],
"number_observations": 34753,
"number_observations_unique": 5476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 65.870
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.346
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}