Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1ed957dc2fbf22a6338d768b790782e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.967,
"b": 54.035,
"c": 39.229,
"alpha": 90.0,
"beta": 98.5,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,1.500],
"number_observations": 114941,
"number_observations_unique": 35488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 5784,
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [54.870,8.220],
"number_observations": 694,
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}