Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "157bf9ac5c36218c2eb4a57b20af7436",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 109.602,
"b": 179.591,
"c": 88.199,
"alpha": 90.00,
"beta": 106.49,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.70,1.66],
"number_observations_unique": 374809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.66],
"number_observations": 64205,
"number_observations_unique": 9400,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.303
},
{
"type": "R(meas)",
"value": 1.409
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
}
]
}