Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e818f16b529de3a2d7685bcb792e6e1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.71,
"b": 47.77,
"c": 149.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.520,1.870],
"number_observations": 191280,
"number_observations_unique": 29019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 10461,
"number_observations_unique": 1853,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.240
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [34.520,8.990],
"number_observations": 1688,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}