Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3dc085f957c46cac3d67fe760a14875f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.533,
"b": 71.533,
"c": 150.790,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.4490,1.970],
"number_observations": 360763,
"number_observations_unique": 28332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 19523,
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [29.450,9.030],
"number_observations": 4049,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 88.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}