Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae2e146ecf7bc14b960190411b54daed",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.210,
"b": 131.645,
"c": 66.348,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.030,1.130],
"number_observations": 1398068,
"number_observations_unique": 215998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 57950,
"number_observations_unique": 9615,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.079
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [47.030,6.220],
"number_observations": 9390,
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}