Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5376965c859ea67a31d2f6c74bf4574c",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.552,
"b": 57.552,
"c": 183.993,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.041,1.60],
"number_observations_unique": 21012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [46.00,8.76],
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Redundancy",
"value": 20.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 26921,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.077
},
{
"type": "R(meas)",
"value": 1.118
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "Redundancy",
"value": 26.4
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
}
]
}