Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a34cf1ba79a2083b61173bdc542e4408",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.230,
"b": 82.826,
"c": 58.566,
"alpha": 90.00,
"beta": 108.62,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.980,1.340],
"number_observations_unique": 81445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 73.000
},
{
"type": "Redundancy",
"value": 5.18
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [82.980,3.640],
"number_observations_unique": 5707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 91.700
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}