Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0be624924d38fb851f15130fbc5ac7ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.687,
"b": 75.773,
"c": 91.171,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.540],
"number_observations": 766957,
"number_observations_unique": 55473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "Completeness",
"value": 71.100
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.887
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 2814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 2841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.880,1.830],
"number_observations_unique": 2855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.940,1.880],
"number_observations_unique": 2851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.010,1.940],
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.090,2.010],
"number_observations_unique": 2855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.300,2.190],
"number_observations_unique": 2859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.440,2.300],
"number_observations_unique": 2890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.630,2.440],
"number_observations_unique": 2882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.900,2.630],
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.320,2.900],
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.180,3.320],
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.000,4.180],
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}