Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0172a2989ba7200720e8a8ad1efa4f7d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.500,
"b": 112.622,
"c": 62.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.870,1.400],
"number_observations_unique": 57587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 32152,
"number_observations_unique": 2804,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.513
},
{
"type": "R(meas)",
"value": 1.584
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [41.870,7.670],
"number_observations": 4774,
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}