Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c93cf19d3f0eb6e00116e465973517d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 104.596,
"b": 58.701,
"c": 105.855,
"alpha": 90.00,
"beta": 104.79,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.178],
"number_observations_unique": 65292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1080
},
{
"type": "I/SigI",
"value": 18.07
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.36
}
]
},
"refln_shells": [
{
"resolution_limits": [50.00,9.56],
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0679
},
{
"type": "CC(1/2)",
"value": 0.9925
}
]
},
{
"resolution_limits": [9.56,6.83],
"number_observations_unique": 8729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0706
},
{
"type": "CC(1/2)",
"value": 0.9964
}
]
},
{
"resolution_limits": [2.24,2.18],
"number_observations_unique": 4716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4276
},
{
"type": "CC(1/2)",
"value": 0.8858
}
]
}
]
}