Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd84e72d74ef135401523638381d1827",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.041,
"b": 85.655,
"c": 100.034,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.500],
"number_observations": 386279,
"number_observations_unique": 85211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 4184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 4201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 4205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 4233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 4220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 4269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 4278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 4254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 4290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 4332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 4325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 4338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 4311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 4305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 4249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.000,4.070],
"number_observations_unique": 4134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}