Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d25cb944d390c4faa12ad19ca85a791a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.529,
"b": 83.852,
"c": 58.930,
"alpha": 90.0,
"beta": 108.2,
"gamma": 90.0
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.970,1.340],
"number_observations": 434075,
"number_observations_unique": 84538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 73.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 254,
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.357
},
{
"type": "R(meas)",
"value": 3.334
},
{
"type": "R(pim)",
"value": 2.357
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 4.500
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [55.970,7.340],
"number_observations": 4662,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 96.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}