Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f1428001c10b36c83542eb942713774",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.368,
"b": 120.348,
"c": 124.734,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.4,1.550],
"number_observations": 543881,
"number_observations_unique": 121589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 11883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 11795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 11742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 11621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 11598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 11938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 12402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 12633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 12759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 13218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}