Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b67b685c0ce9f04aa55874125b5b4fb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.053,
"b": 144.347,
"c": 62.741,
"alpha": 90.00,
"beta": 100.06,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.170,1.470],
"number_observations_unique": 290176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.470],
"number_observations": 54255,
"number_observations_unique": 23568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [72.170,4.660],
"number_observations": 13242,
"number_observations_unique": 5110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}