Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58b24ba8f5cf02f92da803eaad6073c4",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.60,
"b": 54.60,
"c": 75.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.600,1.470],
"number_observations": 247261,
"number_observations_unique": 37554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 18126,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.494
},
{
"type": "R(meas)",
"value": 1.623
},
{
"type": "R(pim)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [54.600,6.580],
"number_observations": 2864,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}