Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eacad337fdc2cfe62a1bf67e9e610ad7",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 175.811,
"b": 175.811,
"c": 354.136,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.440,2.359],
"number_observations_unique": 86438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 8.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.516
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.360],
"number_observations": 105614,
"number_observations_unique": 13809,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.531
},
{
"type": "R(meas)",
"value": 1.645
},
{
"type": "I/SigI",
"value": 1.330
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.648
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [2.670,2.500],
"number_observations": 100139,
"number_observations_unique": 13033,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.060
},
{
"type": "R(meas)",
"value": 1.138
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.683
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [2.890,2.670],
"number_observations": 93219,
"number_observations_unique": 12159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.667
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [3.160,2.890],
"number_observations": 85527,
"number_observations_unique": 11200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 5.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.636
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [3.530,3.160],
"number_observations": 76447,
"number_observations_unique": 10173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 9.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.515
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.080,3.530],
"number_observations": 67501,
"number_observations_unique": 9009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 15.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.493
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.980,4.080],
"number_observations": 56686,
"number_observations_unique": 7651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.409
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.010,4.980],
"number_observations": 43568,
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.273
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [20.440,7.010],
"number_observations": 20980,
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 28.040
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.145
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}