Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d230c612572d02006bb73ff43f40226",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 68.406,
"b": 68.406,
"c": 223.224,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.370,2.6],
"number_observations_unique": 17069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.21
},
{
"type": "I/SigI",
"value": 1.36
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.610],
"number_observations": 11972,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.051
},
{
"type": "R(meas)",
"value": 1.144
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [221.510,9.050],
"number_observations": 2212,
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}