Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d3189c29a3f5ad95c768fe4139d9cf1",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.01,
"b": 89.28,
"c": 99.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.570,1.470],
"number_observations": 577418,
"number_observations_unique": 50485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 25039,
"number_observations_unique": 3680,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.126
},
{
"type": "R(meas)",
"value": 1.220
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [29.570,6.570],
"number_observations": 6363,
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}