Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e00aec21571098c5c807c2263dd8f627",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.635,
"b": 72.877,
"c": 109.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.890],
"number_observations_unique": 42184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 4165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 4152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.598
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 4135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.447
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 4200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 4194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 4212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 4286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [25.000,4.070],
"number_observations_unique": 4445,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}