Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b411f3f890d47d6e141d0899b33b379d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.49,
"b": 61.09,
"c": 55.25,
"alpha": 90.00,
"beta": 108.81,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.590,2.000],
"number_observations": 126863,
"number_observations_unique": 19295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [33.590,8.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}