Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e5fa58cbdaf65d6076feca031d1a8d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.261,
"b": 57.468,
"c": 114.574,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.270,1.500],
"number_observations": 352020,
"number_observations_unique": 55239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 25516,
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.411
},
{
"type": "R(meas)",
"value": 1.536
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [52.270,6.710],
"number_observations": 4494,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}