Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40bccbac2d30282dd74d0df0ec6ecb30",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.014,
"b": 26.567,
"c": 55.522,
"alpha": 90.00,
"beta": 100.16,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.640,1.100],
"number_observations": 90841,
"number_observations_unique": 34548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 159,
"number_observations_unique": 146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 6.400
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [54.640,6.030],
"number_observations": 926,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}