Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11f931adf64b95f3117c7f32bcd47872",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.60,
"b": 67.60,
"c": 166.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.910,1.800],
"number_observations": 195770,
"number_observations_unique": 21741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11610,
"number_observations_unique": 1253,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.374
},
{
"type": "R(meas)",
"value": 2.511
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [33.910,9.000],
"number_observations": 1510,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}