Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c4c9bdce1a628eba86828947f283b98",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.692,
"b": 88.692,
"c": 39.539,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,1.000],
"number_observations": 1055445,
"number_observations_unique": 165246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 34034,
"number_observations_unique": 7616,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.564
},
{
"type": "R(meas)",
"value": 1.771
},
{
"type": "R(pim)",
"value": 0.811
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [44.350,5.480],
"number_observations": 7499,
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}