Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6cdca0d70ed4361cc750eb31df582662",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.79,
"b": 81.79,
"c": 134.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.770,2.030],
"number_observations": 670813,
"number_observations_unique": 34386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 50800,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.572
},
{
"type": "R(meas)",
"value": 1.613
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [26.770,9.080],
"number_observations": 5654,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 70.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}