Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e76e0e0988c420b59a2a1035236880a",
"space_group_name": "P 1",
"unit_cell": {
"a": 58.327,
"b": 59.085,
"c": 61.868,
"alpha": 90.11,
"beta": 66.82,
"gamma": 62.87
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.47,1.800],
"number_observations_unique": 57233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7198,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [42.660,9.000],
"number_observations": 1015,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
}
]
}