Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ed1537ad4c103e91ab4a47b635959ef",
"space_group_name": "P 61",
"unit_cell": {
"a": 56.251,
"b": 56.251,
"c": 193.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.900,1.400],
"number_observations_unique": 68041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.789
},
{
"type": "R(meas)",
"value": 0.16
},
{
"type": "R(pim)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [38.900,7.670],
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}