Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e22d4bf28f12850fa19df165e40c6dc9",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 45.935,
"b": 45.935,
"c": 63.733,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.780,1.200],
"number_observations": 91713,
"number_observations_unique": 23334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.930
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.200],
"number_observations": 15149,
"number_observations_unique": 4499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.970
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 3.367
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [1.500,1.300],
"number_observations": 25853,
"number_observations_unique": 6506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 4.920
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.974
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.000,1.500],
"number_observations": 28739,
"number_observations_unique": 7075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 10.050
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.062
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.500,2.000],
"number_observations": 10751,
"number_observations_unique": 2525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 17.760
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.258
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 4597,
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 19.970
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.160
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.000,3.000],
"number_observations": 5304,
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.740
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.190
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 1159,
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.290
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 3.788
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 148,
"number_observations_unique": 46,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 21.060
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.217
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [39.780,20.000],
"number_observations": 13,
"number_observations_unique": 6,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.590
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 2.167
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}