Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9b02625c1d7fb0c250f936d89615cc4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.894,
"b": 125.022,
"c": 119.163,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.160,1.5160],
"number_observations_unique": 87328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.520],
"number_observations": 98224,
"number_observations_unique": 12536,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.168
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [119.160,4.790],
"number_observations": 21209,
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}