Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfdb0d281f5cbf5220dc4571df00432a",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 256.044,
"b": 256.044,
"c": 187.350,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96864],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.090,2.800],
"number_observations": 197467,
"number_observations_unique": 57577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.800],
"number_observations": 15577,
"number_observations_unique": 4478,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.501
},
{
"type": "R(meas)",
"value": 1.765
},
{
"type": "R(pim)",
"value": 0.919
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.315
}
]
},
{
"resolution_limits": [49.090,12.200],
"number_observations": 2250,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}