Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6fd7a7fd76b288462c03a81abdb6a03d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.403,
"b": 83.470,
"c": 58.908,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.470,1.340],
"number_observations": 428432,
"number_observations_unique": 82246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 71.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 232,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 4.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [83.470,7.330],
"number_observations": 4677,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "I/SigI",
"value": 97.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}