Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2132c0f801b2f5b97be4e4fcce1539bf",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.64,
"b": 93.32,
"c": 71.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.660,2.040],
"number_observations": 131696,
"number_observations_unique": 20121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 9839,
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.222
},
{
"type": "R(meas)",
"value": 1.324
},
{
"type": "R(pim)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [46.660,9.120],
"number_observations": 1404,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 95.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}