Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0302c1858d09d9db5c9d7a17931ce7a1",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.785,
"b": 67.785,
"c": 165.983,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.930,1.580],
"number_observations": 598830,
"number_observations_unique": 31907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.580],
"number_observations": 59229,
"number_observations_unique": 3048,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.168
},
{
"type": "R(meas)",
"value": 2.225
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [47.930,6.120],
"number_observations": 10646,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}