Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b955381f849ace883b7d38462a610d8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.205,
"b": 85.605,
"c": 207.683,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.790,2.260],
"number_observations": 328949,
"number_observations_unique": 52087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 25638,
"number_observations_unique": 4307,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.338
},
{
"type": "R(meas)",
"value": 1.466
},
{
"type": "R(pim)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [49.790,9.310],
"number_observations": 4603,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}