Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5ba20beed3b8044f22227300145b0ca",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.958,
"b": 63.868,
"c": 74.623,
"alpha": 90.0,
"beta": 125.6,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,2.130],
"number_observations": 101833,
"number_observations_unique": 24769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.130],
"number_observations": 6805,
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.732
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [47.950,9.050],
"number_observations": 1324,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}