Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2eb1ec2a082b1794f06a0c2eb67497c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.416,
"b": 72.186,
"c": 45.124,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.190,2.000],
"number_observations_unique": 14472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.010],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [72.190,6.340],
"number_observations_unique": 548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}