Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33843a32248dc00ab08f3bc30b3623c6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.268,
"b": 69.182,
"c": 117.724,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.230,1.779],
"number_observations": 72107,
"number_observations_unique": 14945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.779],
"number_observations": 3209,
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.951
},
{
"type": "R(meas)",
"value": 1.113
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 39.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [46.230,5.186],
"number_observations": 3376,
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}