Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cb1ed9567e771fa00d7b550bc979fe2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.772,
"b": 52.579,
"c": 49.183,
"alpha": 90.00,
"beta": 123.32,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.570,1.480],
"number_observations": 338461,
"number_observations_unique": 27190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.480],
"number_observations": 18211,
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 47.500
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [42.570,4.660],
"number_observations": 13154,
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 86.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}