Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba84d60a2178f3d8e6f3715a3fba305b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.384,
"b": 56.125,
"c": 101.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.610],
"number_observations": 274971,
"number_observations_unique": 41536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 17337,
"number_observations_unique": 2920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(meas)",
"value": 0.897
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [29.020,7.190],
"number_observations": 3375,
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 75.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}