Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd8396d0416a8dbb50f0036d16496de9",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 102.19,
"b": 102.19,
"c": 85.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.260,1.490],
"number_observations": 597202,
"number_observations_unique": 74330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 42306,
"number_observations_unique": 5389,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.251
},
{
"type": "R(meas)",
"value": 2.407
},
{
"type": "R(pim)",
"value": 0.846
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [55.260,6.660],
"number_observations": 6505,
"number_observations_unique": 962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}