Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98417f9bfaa58d3f5dce8489beee1ef8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 50.849,
"b": 26.744,
"c": 51.537,
"alpha": 90.00,
"beta": 99.67,
"gamma": 90.00
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.810,1.020],
"number_observations": 138087,
"number_observations_unique": 33643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.020],
"number_observations": 1556,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 60.800
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [50.810,5.470],
"number_observations": 1169,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}