Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f07e02c69e8ce35f1ad824da1dec2daf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.710,
"b": 68.815,
"c": 57.266,
"alpha": 90.0,
"beta": 92.3,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.200,1.590],
"number_observations": 178331,
"number_observations_unique": 55459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 10594,
"number_observations_unique": 4052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 1.169
},
{
"type": "R(pim)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [57.200,7.110],
"number_observations": 2175,
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}