Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4400dfedcd1ebd1a540db01f48d329d3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.31,
"b": 57.34,
"c": 115.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.690,1.550],
"number_observations": 309393,
"number_observations_unique": 49301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 25015,
"number_observations_unique": 3658,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(meas)",
"value": 1.610
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [57.690,6.930],
"number_observations": 4110,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}