Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebcaa7ef4d23a8fce0ed11c2ee40fd85",
"space_group_name": "I 4",
"unit_cell": {
"a": 113.39,
"b": 113.39,
"c": 57.90,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.800,2.900],
"number_observations": 20136,
"number_observations_unique": 7482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.691
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [3.200,2.900],
"number_observations": 2393,
"number_observations_unique": 1632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "I/SigI",
"value": 0.810
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 1.466
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations": 2163,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 1.824
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 5078,
"number_observations_unique": 1529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.321
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 5142,
"number_observations_unique": 1540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.339
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 2401,
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.210
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.531
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 2355,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.195
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [19.800,10.000],
"number_observations": 604,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 3.393
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}