Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "46fb6e40f6d5524f508f5726674972ec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.541,
"b": 24.081,
"c": 15.029,
"alpha": 90.0,
"beta": 94.5,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.600,1.290],
"number_observations": 128471,
"number_observations_unique": 10169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 4551,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [56.600,7.090],
"number_observations": 812,
"number_observations_unique": 72,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}