Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba893bea5570f0d2ecaf0f49edc91955",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 58.85,
"b": 188.09,
"c": 127.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.150],
"number_observations_unique": 38958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 18.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 17784,
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 18044,
"number_observations_unique": 2785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 5.430
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 17628,
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 5.590
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 17525,
"number_observations_unique": 2643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 6.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 16841,
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 7.410
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 16356,
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 16088,
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.690
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 15216,
"number_observations_unique": 2275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 11.480
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 14791,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 13.420
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 14179,
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.870
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 13554,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.520
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 12862,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.740
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 12040,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 30.930
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 11185,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 38.650
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 10142,
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 41.640
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 9268,
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 46.420
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 8411,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.630
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 7048,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 38.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 5515,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 47.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,9.620],
"number_observations": 2898,
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 59.310
},
{
"type": "Completeness",
"value": 97.600
}
]
}
]
}