Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a2cb3fc45916baae2229f7db0f03ab3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.486,
"b": 56.539,
"c": 102.027,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.630],
"number_observations": 268794,
"number_observations_unique": 40522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 16141,
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [29.140,7.290],
"number_observations": 3303,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 67.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}