Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "baa0adce1e901cb4dabb87766ef029a3",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 116.427,
"b": 156.984,
"c": 295.518,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03324],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,3.000],
"number_observations": 1745941,
"number_observations_unique": 109124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,3.000],
"number_observations": 64991,
"number_observations_unique": 5337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 86.592
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.137
}
]
},
{
"resolution_limits": [49.330,16.430],
"number_observations": 11806,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}