Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "412ed099c7682dea26dcfed0c4c5b1c1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.778,
"b": 56.410,
"c": 100.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.8380,2.120],
"number_observations": 116223,
"number_observations_unique": 18167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.120],
"number_observations": 7321,
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.965
},
{
"type": "R(meas)",
"value": 1.056
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [28.840,9.460],
"number_observations": 1437,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}