Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61636ec4f06564a3c7458099623110c3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.132,
"b": 134.211,
"c": 147.853,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [134.21,2.38],
"number_observations_unique": 58464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [134.21,10.37],
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
{
"resolution_limits": [2.45,2.38],
"number_observations_unique": 4578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.351
},
{
"type": "R(meas)",
"value": 1.461
},
{
"type": "R(pim)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
}
]
}