Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34ff09de4e724c8c055c58e035ef3ca6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.341,
"b": 98.515,
"c": 142.695,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.970,2.490],
"number_observations": 265659,
"number_observations_unique": 39232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.490],
"number_observations": 28527,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [29.970,8.980],
"number_observations": 5314,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}