Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b105f71184482d3a641fa2f14168ffac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.277,
"b": 40.437,
"c": 38.606,
"alpha": 90.00,
"beta": 100.35,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.980,1.620],
"number_observations": 70827,
"number_observations_unique": 12623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.620],
"number_observations": 9951,
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [37.980,5.110],
"number_observations": 2252,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}