Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe81721de3ad6cfb737aa2f98d717bf1",
"space_group_name": "P 2 3",
"unit_cell": {
"a": 104.236,
"b": 104.236,
"c": 104.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.25,1.540],
"number_observations_unique": 55982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 62276,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.370
},
{
"type": "R(meas)",
"value": 2.425
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [60.180,8.440],
"number_observations": 7378,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 77.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}