Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ed057cec8a1a4c2b8366bd1795340ed",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 97.058,
"b": 97.058,
"c": 216.169,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.050,1.800],
"number_observations": 547182,
"number_observations_unique": 106853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 28000,
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(meas)",
"value": 1.310
},
{
"type": "R(pim)",
"value": 0.574
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [84.050,9.860],
"number_observations": 3483,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}