Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32cdbc1b41f0906128caa9bcad468a1b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.060,
"b": 74.308,
"c": 101.020,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.860,1.600],
"number_observations": 554545,
"number_observations_unique": 41690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.094
},
{
"type": "R(meas)",
"value": 2.175
},
{
"type": "R(pim)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 1.20
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [59.860,8.760],
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}