Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3dfe8fe0fbe79f998861de276422fa8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.970,
"b": 71.674,
"c": 76.435,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00068],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.190,1.200],
"number_observations": 1277049,
"number_observations_unique": 100095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 60197,
"number_observations_unique": 4882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [46.190,6.570],
"number_observations": 7928,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 81.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}