Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36bd2c13256efa81c5014a8804d8efe7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.90,
"b": 56.96,
"c": 114.90,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.960,1.390],
"number_observations": 441758,
"number_observations_unique": 69126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 27044,
"number_observations_unique": 5044,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.480
},
{
"type": "R(meas)",
"value": 1.643
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [56.960,6.220],
"number_observations": 5468,
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}