Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e35ffcb3d19ce5abfc6ad66a6b259459",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.949,
"b": 92.130,
"c": 168.043,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.4410,1.7390],
"number_observations_unique": 90669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 32712,
"number_observations_unique": 4213,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.392
},
{
"type": "R(meas)",
"value": 1.489
},
{
"type": "R(pim)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [48.440,9.520],
"number_observations": 4191,
"number_observations_unique": 661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}