Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93eef0b19252a0472c15bdff8fbeba23",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 143.950,
"b": 61.714,
"c": 65.312,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.290,3.000],
"number_observations": 76277,
"number_observations_unique": 11200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 11337,
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [44.290,9.010],
"number_observations": 2942,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}