Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b56ed7ec2919be7c8dcf62972fbc841e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.613,
"b": 69.231,
"c": 89.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54148,2.80000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.69,1.75],
"number_observations_unique": 43601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.78,1.75],
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3490
},
{
"type": "R(meas)",
"value": 0.3980
},
{
"type": "R(pim)",
"value": 0.1810
},
{
"type": "I/SigI",
"value": 2.20
},
{
"type": "Completeness",
"value": 67
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
}
]
}