Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d97ac8da96ceb66f0060a9dd926ca225",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 118.247,
"b": 169.693,
"c": 248.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.0,2.500],
"number_observations": 479533,
"number_observations_unique": 85745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.500],
"number_observations": 24803,
"number_observations_unique": 4408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [84.850,13.230],
"number_observations": 3584,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}