Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87fc1248ea37c37f507e5493db5e222a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 135.106,
"b": 159.226,
"c": 164.973,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.400],
"number_observations": 1758336,
"number_observations_unique": 138216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 6845,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.649
},
{
"type": "R(meas)",
"value": 1.733
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 6876,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.507
},
{
"type": "R(meas)",
"value": 1.578
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [2.530,2.490],
"number_observations_unique": 6829,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.414
},
{
"type": "R(meas)",
"value": 1.478
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 6824,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.281
},
{
"type": "R(meas)",
"value": 1.336
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 6874,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.238
},
{
"type": "R(meas)",
"value": 1.290
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 6880,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.143
},
{
"type": "R(meas)",
"value": 1.191
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 6836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.956
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 6825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 6871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.782
},
{
"type": "R(meas)",
"value": 0.812
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 6888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 6895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 6874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.400,3.260],
"number_observations_unique": 6896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.580,3.400],
"number_observations_unique": 6928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 6871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 6959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.510,4.100],
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.160,4.510],
"number_observations_unique": 6994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.490,5.160],
"number_observations_unique": 7015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [30.000,6.490],
"number_observations_unique": 7294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}