Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c22e8db38d4e5e5a9327250abb68309",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 104.76,
"b": 155.32,
"c": 208.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.400],
"number_observations": 180735,
"number_observations_unique": 24522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.520,3.400],
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.080
},
{
"type": "R(meas)",
"value": 1.162
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [3.660,3.520],
"number_observations_unique": 2415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.826
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [3.830,3.660],
"number_observations_unique": 2410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [4.030,3.830],
"number_observations_unique": 2410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [4.280,4.030],
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.610,4.280],
"number_observations_unique": 2425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.080,4.610],
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.810,5.080],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.320,5.810],
"number_observations_unique": 2491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,7.320],
"number_observations_unique": 2594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}