Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95d4af5d6efd5fde2857c5afdd1a074a",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 96.91,
"b": 96.91,
"c": 58.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.980,2.190],
"number_observations": 154682,
"number_observations_unique": 8534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 11159,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [27.980,9.040],
"number_observations": 2076,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 69.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}