Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "732316168427f0091d3bbf22b6f0f2c1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.52,
"b": 27.47,
"c": 56.08,
"alpha": 90.00,
"beta": 100.11,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.130,1.240],
"number_observations": 153804,
"number_observations_unique": 25082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 348,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.933
},
{
"type": "R(meas)",
"value": 1.253
},
{
"type": "R(pim)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 7.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [40.130,5.550],
"number_observations": 2517,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}