Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3453edbd2ff4d116e0d626d23ae9609b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 87.753,
"b": 139.300,
"c": 265.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,3.550],
"number_observations_unique": 18262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.890,3.550],
"number_observations_unique": 4383,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.993
},
{
"type": "R(meas)",
"value": 2.200
},
{
"type": "R(pim)",
"value": 0.913
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.350
}
]
},
{
"resolution_limits": [29.120,8.700],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}