Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a39e35c20b8f2f81a7f0d235b4b4a03",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.861,
"b": 41.811,
"c": 72.909,
"alpha": 90.00,
"beta": 104.56,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.880],
"number_observations": 44675,
"number_observations_unique": 18329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.880],
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [1.950,1.910],
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [2.120,2.070],
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.170,2.120],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.230,2.170],
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.550,2.450],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.670,2.550],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.810,2.670],
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.980,2.810],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.210,2.980],
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.540,3.210],
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.050,3.540],
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.100,4.050],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,5.100],
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 78.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}