Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89a497871bb54c8ed246f45ef32f0a73",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.949,
"b": 108.022,
"c": 75.685,
"alpha": 90.00,
"beta": 109.42,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.380,1.850],
"number_observations": 256654,
"number_observations_unique": 74237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 30440,
"number_observations_unique": 8654,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.652
},
{
"type": "R(meas)",
"value": 1.945
},
{
"type": "R(pim)",
"value": 1.020
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 73.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
},
{
"resolution_limits": [71.380,5.840],
"number_observations": 8687,
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}