Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73354805a92a13c060abd0023450d0bd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.515,
"b": 71.515,
"c": 150.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.140],
"number_observations": 210449,
"number_observations_unique": 89909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 63.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 157,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 2.300
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [29.440,6.250],
"number_observations": 2242,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "Completeness",
"value": 71.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
}
]
}