Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c08aa1f99579ba651dd3543274afd65",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.883,
"b": 88.883,
"c": 39.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.120,1.050],
"number_observations": 897275,
"number_observations_unique": 142392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.301
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 141398,
"number_observations_unique": 22613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.253
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 138554,
"number_observations_unique": 21610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.412
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 129964,
"number_observations_unique": 20165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 120940,
"number_observations_unique": 18581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 9.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 107587,
"number_observations_unique": 16772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.415
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 92645,
"number_observations_unique": 14847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 23.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.240
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 73548,
"number_observations_unique": 12561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 30.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.855
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 58904,
"number_observations_unique": 9761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.035
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [36.120,3.150],
"number_observations": 33735,
"number_observations_unique": 5482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 38.280
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.154
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}