Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82d3b670a0a7d35292ae0043e390a88d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.636,
"b": 56.337,
"c": 101.469,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,2.700],
"number_observations": 44965,
"number_observations_unique": 8715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 2179,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [29.040,12.100],
"number_observations": 698,
"number_observations_unique": 124,
"quality_factors": [
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}