Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22df139581f0f20f2e8896447f26e2d5",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 90.60,
"b": 93.33,
"c": 316.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.150],
"number_observations_unique": 72719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 10.740
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.928
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 5315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 3.080
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.084
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations_unique": 5154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.079
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations_unique": 5027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.064
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations_unique": 4892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.064
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations_unique": 4764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.068
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations_unique": 4581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.720
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.035
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations_unique": 4487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 6.930
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.001
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations_unique": 4250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.989
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations_unique": 4134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.880
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.938
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations_unique": 3956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 11.930
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.882
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations_unique": 3753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 16.490
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.768
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations_unique": 3367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 18.160
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.775
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 19.510
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.711
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations_unique": 2887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.860
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.740
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations_unique": 2619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 22.460
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.748
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 21.590
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.778
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 20.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.846
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.735
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50,9.620],
"number_observations_unique": 893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.392
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}