Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7384f611d473020fc629a2bc78fe461",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 118.109,
"b": 168.621,
"c": 48.926,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.54,2.240],
"number_observations_unique": 47512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.240],
"number_observations": 15526,
"number_observations_unique": 2730,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(meas)",
"value": 1.166
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.382
}
]
},
{
"resolution_limits": [29.530,10.000],
"number_observations": 3529,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}