Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "03164c303f18a1b2fbf2dcf3a76df81c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.969,
"b": 57.327,
"c": 49.604,
"alpha": 90.00,
"beta": 112.39,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.85,2.50],
"number_observations": 31547,
"number_observations_unique": 8470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 92.5
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.57,2.50],
"number_observations": 2249,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.963
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
}
]
}