Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d3ceaf6269d3831afa1a7512997e7ff",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.701,
"b": 88.701,
"c": 39.494,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.670,1.000],
"number_observations": 1044740,
"number_observations_unique": 165148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.326
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 146197,
"number_observations_unique": 26459,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.250
},
{
"type": "R(meas)",
"value": 1.382
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.525
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158399,
"number_observations_unique": 25006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.334
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 154233,
"number_observations_unique": 23314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 4.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.615
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 137301,
"number_observations_unique": 21478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 7.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.393
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131618,
"number_observations_unique": 19435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 12.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.772
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 111660,
"number_observations_unique": 17197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.493
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 95077,
"number_observations_unique": 14568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 41.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.526
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 70081,
"number_observations_unique": 11301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 57.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.201
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.670,3.000],
"number_observations": 40168,
"number_observations_unique": 6388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 68.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.288
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}