Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7f2f697c5b0e588fdf63e9bc180d8ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.206,
"b": 55.235,
"c": 71.576,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.600,0.970],
"number_observations_unique": 137004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.980,0.970],
"number_observations": 15591,
"number_observations_unique": 3500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.916
},
{
"type": "R(meas)",
"value": 1.039
},
{
"type": "R(pim)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [19.600,5.290],
"number_observations": 2868,
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 72.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}