Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6273c2d9586df893deefed875bc7b91d",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.319,
"b": 95.319,
"c": 45.813,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.400,1.220],
"number_observations": 583026,
"number_observations_unique": 56423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.220],
"number_observations": 3668,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.027
},
{
"type": "R(meas)",
"value": 1.300
},
{
"type": "R(pim)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 53.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.350
}
]
},
{
"resolution_limits": [67.400,6.680],
"number_observations": 5096,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 97.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}