Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d513530f5321fc0c6e204fb888fca74",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.972,
"b": 112.514,
"c": 62.701,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.250,1.150],
"number_observations": 1190980,
"number_observations_unique": 100737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 21679,
"number_observations_unique": 3954,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(meas)",
"value": 1.525
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [66.250,6.300],
"number_observations": 8802,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}