Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b925050977cc08117f900455122d6dc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.56,
"b": 156.28,
"c": 77.39,
"alpha": 90.0,
"beta": 109.2,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.543,1.560],
"number_observations_unique": 159361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 80424,
"number_observations_unique": 11592,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "R(meas)",
"value": 1.264
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.670
}
]
},
{
"resolution_limits": [36.540,6.980],
"number_observations": 10770,
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}