Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b254cdf07def7710614f96eed6766c80",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.877,
"b": 100.360,
"c": 66.842,
"alpha": 90.00,
"beta": 95.86,
"gamma": 90.00
},
"wavelengths": [0.98020],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,1.650],
"number_observations": 650367,
"number_observations_unique": 97449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 23802,
"number_observations_unique": 4145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [48.080,9.060],
"number_observations": 4154,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}