Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79e4171a47524e0b7d5ad2b35bba0081",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 22.453,
"b": 54.853,
"c": 37.772,
"alpha": 90.000,
"beta": 96.145,
"gamma": 90.000
},
"wavelengths": [1.02360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.90,0.94],
"number_observations_unique": 22344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [54.85,6.50],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.33,1.30],
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
}
]
}