Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5e8ec74adc38bf6e2f74bcebce91e7f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.424,
"b": 143.245,
"c": 62.062,
"alpha": 90.00,
"beta": 97.95,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.620,1.5],
"number_observations_unique": 258887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.520],
"number_observations": 55683,
"number_observations_unique": 20878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [71.620,4.790],
"number_observations": 14601,
"number_observations_unique": 4615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}