Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee261a3b24c25b8b2cbf9cf9b55aea7a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 203.302,
"b": 51.740,
"c": 45.739,
"alpha": 90.00,
"beta": 92.57,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.690,1.800],
"number_observations": 303398,
"number_observations_unique": 44295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 18664,
"number_observations_unique": 2637,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.011
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [45.690,9.000],
"number_observations": 2484,
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}