Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a9c797aed3c3568185d1a0866f6b0c4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.264,
"b": 79.066,
"c": 84.836,
"alpha": 90.00,
"beta": 91.37,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.244,2.728],
"number_observations_unique": 18360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 72.6
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.966,2.728],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 16.5
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [71.244,8.334],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}