Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "739e4a52312a9dbad969bb0524fb2f9c",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.555,
"b": 59.555,
"c": 213.367,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.500],
"number_observations": 141021,
"number_observations_unique": 16230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.859
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.000,6.780],
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}