Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c94aa20f589ef1f9fb753989ebdafde1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.67,
"b": 70.32,
"c": 108.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.850,1.680],
"number_observations": 110232,
"number_observations_unique": 29950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 5902,
"number_observations_unique": 1550,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.237
},
{
"type": "R(meas)",
"value": 1.436
},
{
"type": "R(pim)",
"value": 0.724
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [47.850,9.050],
"number_observations": 711,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}