Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "644a000f3803c05c9219528512f03822",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.747,
"b": 88.747,
"c": 39.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.690,1.050],
"number_observations": 920109,
"number_observations_unique": 141674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 22.370
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.495
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 143201,
"number_observations_unique": 22712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 2.980
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.305
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 138328,
"number_observations_unique": 21459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.446
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 129516,
"number_observations_unique": 19983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 8.080
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.481
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122094,
"number_observations_unique": 18430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 12.140
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.625
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 111230,
"number_observations_unique": 16725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 20.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.651
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 98133,
"number_observations_unique": 14717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 34.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.668
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 79832,
"number_observations_unique": 12486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 53.340
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.394
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 62970,
"number_observations_unique": 9697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 68.720
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.494
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.690,3.150],
"number_observations": 34805,
"number_observations_unique": 5465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 76.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.369
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}