Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c923f24d6e6db113a8363f677a45563",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.289,
"b": 84.847,
"c": 99.340,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.680,1.800],
"number_observations_unique": 42642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 19679,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [47.640,9.000],
"number_observations": 2618,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}