Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d097d4daac702c9ff9cb17cef1c32b8c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.389,
"b": 98.716,
"c": 58.899,
"alpha": 90.00,
"beta": 107.93,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.360,1.650],
"number_observations": 246835,
"number_observations_unique": 72006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 9486,
"number_observations_unique": 3507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
},
{
"resolution_limits": [49.360,9.040],
"number_observations": 1631,
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}