Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b056cab3a7bab073fb04fe5d20da5f38",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.518,
"b": 56.243,
"c": 101.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,2.090],
"number_observations": 117323,
"number_observations_unique": 19557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 8464,
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [29.050,9.330],
"number_observations": 1560,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}