Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3d57385194cf22016dc291cefa1c8c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.35,
"b": 70.50,
"c": 66.84,
"alpha": 90.00,
"beta": 90.91,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.500,1.650],
"number_observations": 194613,
"number_observations_unique": 55090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 14531,
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [70.500,7.380],
"number_observations": 2297,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}