Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a353a1d57c0b65a88f4f260a5cea6a0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.472,
"b": 71.472,
"c": 150.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,1.490],
"number_observations": 811909,
"number_observations_unique": 64114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 30779,
"number_observations_unique": 3031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "R(meas)",
"value": 1.009
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [29.420,8.040],
"number_observations": 5776,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}