Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c33bd73376c7f5612637d9f2f838c8f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.892,
"b": 86.942,
"c": 93.626,
"alpha": 90.00,
"beta": 99.19,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.7000],
"number_observations_unique": 19609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 1.029
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [2.910,2.850],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.970,2.910],
"number_observations_unique": 984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [3.040,2.970],
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [3.120,3.040],
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.200,3.120],
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations_unique": 961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations_unique": 978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.520,3.400],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.660,3.520],
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.830,3.660],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.030,3.830],
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.290,4.030],
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.620,4.290],
"number_observations_unique": 987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.080,4.620],
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.810,5.080],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [7.320,5.810],
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,7.320],
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}