Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7d088dc5cb2c9c4c2eeacd7a938e9141",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.682,
"b": 88.682,
"c": 39.516,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.000],
"number_observations": 1049228,
"number_observations_unique": 165366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36204,
"number_observations_unique": 7712,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.525
},
{
"type": "R(meas)",
"value": 1.715
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
},
{
"resolution_limits": [44.340,5.480],
"number_observations": 7509,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}