Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2dd3338a2cafe8f39bac8a1ceded508c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.453,
"b": 53.597,
"c": 69.852,
"alpha": 90.0,
"beta": 91.8,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.430,1.100],
"number_observations": 409240,
"number_observations_unique": 129065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.401
}
]
},
{
"resolution_limits": [43.430,6.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}