Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97888ad1615c5c70c141e27c681c58c6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 112.765,
"b": 131.077,
"c": 142.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.660,1.900],
"number_observations": 1120338,
"number_observations_unique": 82701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 4421,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.8
},
{
"type": "R(meas)",
"value": 2.1
},
{
"type": "R(pim)",
"value": 0.629
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [48.660,9.870],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}