Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75ea85655ea47c0535056fdd1a9cc2c3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.766,
"b": 104.388,
"c": 51.786,
"alpha": 90.00,
"beta": 108.04,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.240,1.450],
"number_observations": 435296,
"number_observations_unique": 70882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 22102,
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.528
},
{
"type": "R(meas)",
"value": 1.669
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [49.240,7.940],
"number_observations": 2786,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}