Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e1cba970b2d61f18a94387fb732b89a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.211,
"b": 111.337,
"c": 49.149,
"alpha": 90.00,
"beta": 104.17,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.580,1.757],
"number_observations_unique": 67897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.760],
"number_observations": 35967,
"number_observations_unique": 9938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [64.580,5.560],
"number_observations": 7404,
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}