Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "011adf628e4b1450a01ad14ff6746f00",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 84.273,
"b": 84.273,
"c": 261.127,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.170,1.460],
"number_observations": 1584810,
"number_observations_unique": 163708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.460],
"number_observations": 61929,
"number_observations_unique": 7946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.926
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [49.170,7.990],
"number_observations": 9860,
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}