Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6c5470620f85edb393f0a7163517859",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.982,
"b": 54.816,
"c": 74.845,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,1.65],
"number_observations": 266804,
"number_observations_unique": 26185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.65],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "R(meas)",
"value": 0.526
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [1.78,1.71],
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.86,1.78],
"number_observations_unique": 2603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.2
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.96,1.86],
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.08,1.96],
"number_observations_unique": 2617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.24,2.08],
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.46,2.24],
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.82,2.46],
"number_observations_unique": 2650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.55,2.82],
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [30.00,3.55],
"number_observations_unique": 2827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}