Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b26cd2a00cfbd6cb4d6ed51fe99c10bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.874,
"b": 68.715,
"c": 79.027,
"alpha": 81.11,
"beta": 74.27,
"gamma": 84.02
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.540,3.000],
"number_observations": 59909,
"number_observations_unique": 16931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 9914,
"number_observations_unique": 2727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [29.540,9.000],
"number_observations": 2077,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}