Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df08cac6e548625fc62d4f647f4e4fc7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.64,
"b": 86.76,
"c": 161.84,
"alpha": 90.00,
"beta": 95.89,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.23,1.650],
"number_observations_unique": 170245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 12537,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.362
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "R(pim)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [27.220,7.380],
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}