Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06474011b335ec5f042c8dbb6b28f4e0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 206.271,
"b": 135.955,
"c": 132.067,
"alpha": 90.00,
"beta": 101.16,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 468524,
"number_observations_unique": 121060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations_unique": 7938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.792
},
{
"type": "R(meas)",
"value": 0.923
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [2.620,2.560],
"number_observations_unique": 8169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [2.690,2.620],
"number_observations_unique": 8060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 8118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.516
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [2.860,2.770],
"number_observations_unique": 8117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations_unique": 8091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.080,2.960],
"number_observations_unique": 8113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.220,3.080],
"number_observations_unique": 8045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.390,3.220],
"number_observations_unique": 8063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.610,3.390],
"number_observations_unique": 7796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.880,3.610],
"number_observations_unique": 7956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.270,3.880],
"number_observations_unique": 8186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.890,4.270],
"number_observations_unique": 8157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.160,4.890],
"number_observations_unique": 8145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,6.160],
"number_observations_unique": 8106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}