Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fbdcde5a030fc73fcfe092f90084b04",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.57,
"b": 79.26,
"c": 89.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.110,1.420],
"number_observations": 552373,
"number_observations_unique": 84373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 40964,
"number_observations_unique": 6132,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.757
},
{
"type": "R(meas)",
"value": 1.905
},
{
"type": "R(pim)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [49.110,6.350],
"number_observations": 6799,
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}