Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "167a8ab857a9a254fa761e9e61b00137",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.376,
"b": 72.057,
"c": 75.456,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations": 87973,
"number_observations_unique": 15303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.860
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.00
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.706
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}