Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4d5f8b1fb36bba6134b66ed3848b7ce",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.344,
"b": 53.344,
"c": 111.869,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.770,2.100],
"number_observations": 29028,
"number_observations_unique": 11130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations": 1943,
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [13.770,8.400],
"number_observations": 354,
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}