Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b8832a164df8bb9803b5d0246f20fa03",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.844,
"b": 88.844,
"c": 39.570,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,0.980],
"number_observations": 1078591,
"number_observations_unique": 175993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 29105,
"number_observations_unique": 7986,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.441
},
{
"type": "R(meas)",
"value": 1.679
},
{
"type": "R(pim)",
"value": 0.840
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.396
}
]
},
{
"resolution_limits": [44.420,5.370],
"number_observations": 7927,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}