Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "441e95310498186e825ef3ed17f0f183",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 40.796,
"b": 83.000,
"c": 234.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.780,2.100],
"number_observations": 107962,
"number_observations_unique": 23679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9224,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.674
},
{
"type": "R(meas)",
"value": 1.891
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [40.780,8.910],
"number_observations": 1404,
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}