Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4c6a4324b1ba230981b275e3fb3a026",
"space_group_name": "P 1",
"unit_cell": {
"a": 84.970,
"b": 86.270,
"c": 110.161,
"alpha": 106.04,
"beta": 96.74,
"gamma": 113.15
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.35,1.71],
"number_observations": 987993,
"number_observations_unique": 278593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.71],
"number_observations": 72882,
"number_observations_unique": 20527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
}
]
}