Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97925310768c1ef6bc0390e13a30c8bf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.075,
"b": 77.430,
"c": 91.076,
"alpha": 90.00,
"beta": 91.81,
"gamma": 90.00
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.48,2.2],
"number_observations_unique": 56409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 88.0
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.20],
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 59.8
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
}
]
}