Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "daebe600e16d2dcff3ce398435ec30c8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.554,
"b": 61.654,
"c": 65.120,
"alpha": 90.00,
"beta": 92.65,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.96,1.50],
"number_observations": 222004,
"number_observations_unique": 46225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.50],
"number_observations": 26296,
"number_observations_unique": 6743,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.017
},
{
"type": "R(meas)",
"value": 1.186
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
}
]
}