Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53a7cc110b25af3f83e98472f64c18a6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.519,
"b": 56.532,
"c": 101.730,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.770],
"number_observations": 212046,
"number_observations_unique": 31996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 15184,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [29.080,7.900],
"number_observations": 2571,
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 79.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}