Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0bd1b4ca2f9f7bf84df04decb0789c9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.694,
"b": 71.694,
"c": 150.632,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.500,1.470],
"number_observations": 856533,
"number_observations_unique": 66818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 33851,
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.878
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [29.500,8.070],
"number_observations": 5784,
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 77.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}