Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49db013f1b9d6b799048b997da6b90c8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.757,
"b": 112.483,
"c": 62.702,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.870,1.800],
"number_observations_unique": 27429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 8321,
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [41.850,8.050],
"number_observations": 1763,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}