Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "afb01e111de98ea1d417503409955396",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.870,
"b": 123.647,
"c": 64.975,
"alpha": 90.00,
"beta": 129.94,
"gamma": 90.00
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.190,2.140],
"number_observations": 115386,
"number_observations_unique": 29859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.140],
"number_observations": 16679,
"number_observations_unique": 4354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.934
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [60.190,6.770],
"number_observations": 3937,
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}