Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ce36cf2008ad76beac42b3b458bb941",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.26,
"b": 74.10,
"c": 102.09,
"alpha": 90.00,
"beta": 96.03,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.740,2.990],
"number_observations": 91716,
"number_observations_unique": 22776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.990],
"number_observations": 6480,
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.105
},
{
"type": "R(meas)",
"value": 1.288
},
{
"type": "R(pim)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.494
}
]
},
{
"resolution_limits": [74.740,13.370],
"number_observations": 1146,
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}