Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48d93d3e1d87782dabc951699e68b0cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.845,
"b": 32.344,
"c": 88.305,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.350,1.250],
"number_observations": 242181,
"number_observations_unique": 22582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 3829,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 67.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [19.350,6.850],
"number_observations": 1729,
"number_observations_unique": 180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}