Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a20d4d9243c4fa14431ae1f666eef61b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.50,
"b": 188.76,
"c": 98.14,
"alpha": 90.00,
"beta": 93.89,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.950,2.300],
"number_observations": 330229,
"number_observations_unique": 90452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 16738,
"number_observations_unique": 4527,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(pim)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [67.950,12.600],
"number_observations": 2088,
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}