Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f9e2af5bd1a61f0cdf2b6da476d1a34",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.56,
"b": 77.69,
"c": 99.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.690,1.880],
"number_observations": 163434,
"number_observations_unique": 25121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 12359,
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.525
},
{
"type": "R(meas)",
"value": 1.650
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [77.690,8.410],
"number_observations": 1961,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}