Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "692c11cc6b7e94cd8385cfa56bb9c3c5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.76,
"b": 32.27,
"c": 81.65,
"alpha": 90.00,
"beta": 100.64,
"gamma": 90.00
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.81,1.63],
"number_observations_unique": 36159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [27.81,7.29],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.5
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.67,1.63],
"number_observations_unique": 2648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
}
]
}