Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb4c3aee13405a7ada5b444e2ea02dc2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.78,
"b": 111.36,
"c": 163.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.980,1.950],
"number_observations_unique": 129258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations": 19077,
"number_observations_unique": 4402,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.424
},
{
"type": "R(meas)",
"value": 5.043
},
{
"type": "R(pim)",
"value": 2.355
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [65.980,9.350],
"number_observations": 3525,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}