Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75bb7d097816df5fa35d199f1a2bd77e",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 114.887,
"b": 114.887,
"c": 252.820,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.8,2.020],
"number_observations_unique": 65358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.020],
"number_observations_unique": 3220,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.052
},
{
"type": "R(meas)",
"value": 3.153
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 0.96
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3184,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.644
},
{
"type": "R(meas)",
"value": 2.727
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.261
},
{
"type": "R(meas)",
"value": 2.328
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 3192,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.052
},
{
"type": "R(meas)",
"value": 2.110
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.794
},
{
"type": "R(meas)",
"value": 1.844
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [2.270,2.220],
"number_observations_unique": 3208,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.598
},
{
"type": "R(meas)",
"value": 1.642
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.216
},
{
"type": "R(meas)",
"value": 1.251
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [2.390,2.330],
"number_observations_unique": 3248,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "R(meas)",
"value": 1.060
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.470,2.390],
"number_observations_unique": 3186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.898
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations_unique": 3241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.640,2.540],
"number_observations_unique": 3243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.740,2.640],
"number_observations_unique": 3251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.870,2.740],
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.020,2.870],
"number_observations_unique": 3265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.210,3.020],
"number_observations_unique": 3262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.450,3.210],
"number_observations_unique": 3286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.800,3.450],
"number_observations_unique": 3313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.350,3.800],
"number_observations_unique": 3334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.480,4.350],
"number_observations_unique": 3396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.8,5.480],
"number_observations_unique": 3638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}