Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b91fcdb4828ef26528d88c4b473bf2dc",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.654,
"b": 78.654,
"c": 36.949,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.59,1.600],
"number_observations_unique": 15709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 2198,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [13.580,8.760],
"number_observations": 466,
"number_observations_unique": 87,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 79.100
},
{
"type": "Completeness",
"value": 70.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}