Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "658152326c146183b4af0a629887a18d",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 105.263,
"b": 105.263,
"c": 160.936,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.23,1.5],
"number_observations_unique": 165063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 12.62
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.39
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.50],
"number_observations_unique": 23475,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.707
},
{
"type": "R(meas)",
"value": 4.394
},
{
"type": "I/SigI",
"value": 0.55
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [1.77,1.65],
"number_observations_unique": 22076,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.415
},
{
"type": "R(meas)",
"value": 1.481
},
{
"type": "I/SigI",
"value": 50.54
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [1.91,1.77],
"number_observations_unique": 20612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.695
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.09,1.91],
"number_observations_unique": 19003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.34,2.09],
"number_observations_unique": 17261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.7,2.34],
"number_observations_unique": 15242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.3,2.70],
"number_observations_unique": 12962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.66,3.30],
"number_observations_unique": 10150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.23,4.66],
"number_observations_unique": 5844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}