Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87a3dd01f622f38a177a6d0ce0023816",
"space_group_name": "P 42 3 2",
"unit_cell": {
"a": 349.151,
"b": 349.151,
"c": 349.151,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.28158],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.800],
"number_observations": 123302,
"number_observations_unique": 56842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.870,3.800],
"number_observations_unique": 2596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "R(pim)",
"value": 0.816
},
{
"type": "Completeness",
"value": 74.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [3.940,3.870],
"number_observations_unique": 2656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "R(pim)",
"value": 0.640
},
{
"type": "Completeness",
"value": 75.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [4.010,3.940],
"number_observations_unique": 2676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.605
},
{
"type": "Completeness",
"value": 75.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [4.090,4.010],
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "Completeness",
"value": 76.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [4.180,4.090],
"number_observations_unique": 2725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [4.280,4.180],
"number_observations_unique": 2737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [4.390,4.280],
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [4.500,4.390],
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [4.640,4.500],
"number_observations_unique": 2870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [4.790,4.640],
"number_observations_unique": 2951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [4.960,4.790],
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [5.160,4.960],
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [5.390,5.160],
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [5.670,5.390],
"number_observations_unique": 2934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [6.030,5.670],
"number_observations_unique": 2908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [6.490,6.030],
"number_observations_unique": 2931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 81.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [7.150,6.490],
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [8.180,7.150],
"number_observations_unique": 2919,
"quality_factors": [
{
"type": "Completeness",
"value": 79.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [10.290,8.180],
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,10.290],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}