Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b640aebf6de1690b57d394020cc43084",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 69.073,
"b": 171.626,
"c": 146.942,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.600],
"number_observations": 302949,
"number_observations_unique": 20922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.730,3.600],
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [3.880,3.730],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "R(meas)",
"value": 0.690
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [4.050,3.880],
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.270,4.050],
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.540,4.270],
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.890,4.540],
"number_observations_unique": 2082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.380,4.890],
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.150,5.380],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.750,6.150],
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,7.750],
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}