Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b920374f56f09bc7d989917f0443e3d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.051,
"b": 71.372,
"c": 52.055,
"alpha": 90.00,
"beta": 104.23,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.200,1.330],
"number_observations": 221167,
"number_observations_unique": 60118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 10742,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.153
},
{
"type": "R(meas)",
"value": 1.354
},
{
"type": "R(pim)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [41.200,7.280],
"number_observations": 1175,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}