Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b7f6fb9b4dab77b17e30b8c09f79c65",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 53.004,
"b": 54.710,
"c": 84.907,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.450,1.800],
"number_observations": 76158,
"number_observations_unique": 11799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.45
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4675,
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [42.450,9.000],
"number_observations": 657,
"number_observations_unique": 118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 56.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}