Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18aa200c4697ae83a3118014dafc489a",
"space_group_name": "P 65",
"unit_cell": {
"a": 89.365,
"b": 89.365,
"c": 52.845,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.990],
"number_observations": 79108,
"number_observations_unique": 16667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,1.990],
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [2.140,2.060],
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [2.240,2.140],
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.360,2.240],
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.510,2.360],
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.700,2.510],
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.970,2.700],
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.400,2.970],
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.280,3.400],
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [30.000,4.280],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}