Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14dd1bd98ee2d36e9e76ce58ad870600",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 279.922,
"b": 279.922,
"c": 870.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.87300,0.97200,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200.000,3.400],
"number_observations": 1398748,
"number_observations_unique": 246474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.460,3.400],
"number_observations_unique": 8864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "R(meas)",
"value": 0.895
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "Completeness",
"value": 64.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.433
}
]
},
{
"resolution_limits": [3.520,3.460],
"number_observations_unique": 9572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "Completeness",
"value": 70.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [3.590,3.520],
"number_observations_unique": 11165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [3.660,3.590],
"number_observations_unique": 11777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.780
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [3.740,3.660],
"number_observations_unique": 12386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.681
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [3.830,3.740],
"number_observations_unique": 12656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [3.930,3.830],
"number_observations_unique": 12691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [4.030,3.930],
"number_observations_unique": 12696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [4.150,4.030],
"number_observations_unique": 12763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [4.280,4.150],
"number_observations_unique": 12767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [4.440,4.280],
"number_observations_unique": 12777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [4.610,4.440],
"number_observations_unique": 12813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [4.820,4.610],
"number_observations_unique": 12789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [5.080,4.820],
"number_observations_unique": 12841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [5.400,5.080],
"number_observations_unique": 12851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [5.810,5.400],
"number_observations_unique": 12889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [6.400,5.810],
"number_observations_unique": 13040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [7.320,6.400],
"number_observations_unique": 12997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [9.230,7.320],
"number_observations_unique": 13015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [200.000,9.230],
"number_observations_unique": 13125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}