Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76f4e7fca7cabec66bbc79b08bc02d2a",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 75.352,
"b": 88.768,
"c": 121.293,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.63,2.200],
"number_observations": 118710,
"number_observations_unique": 20379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 1883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 2069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 2081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.740,3.760],
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,4.740],
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}