Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d608c0ddd7f2ab566a6bc9e05a51772",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.57,
"b": 57.17,
"c": 91.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.570,1.670],
"number_observations": 213563,
"number_observations_unique": 29591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 15227,
"number_observations_unique": 2165,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.590
},
{
"type": "R(meas)",
"value": 1.715
},
{
"type": "R(pim)",
"value": 0.636
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [45.570,7.470],
"number_observations": 2351,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}