Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3a9dc4defa5207fdd3b83fc3024b7a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.69,
"b": 184.70,
"c": 84.84,
"alpha": 90.000,
"beta": 93.869,
"gamma": 90.000
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.800],
"number_observations_unique": 205272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 15.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.780
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 15138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.627
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 14811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 2.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.794
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 14342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 3.890
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.797
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 14023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 4.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.806
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations_unique": 13547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.807
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 13045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.818
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 12643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.819
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 12165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 11.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.813
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations_unique": 11703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.817
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations_unique": 11097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 15.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.813
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations_unique": 10653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 18.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.805
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations_unique": 9998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.792
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations_unique": 9451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 24.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.772
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations_unique": 8784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.757
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations_unique": 8051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.747
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations_unique": 7337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 35.740
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.747
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations_unique": 6437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.762
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations_unique": 5486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 38.790
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.773
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations_unique": 4232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 38.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.775
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,8.050],
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.580
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.565
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}