Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1328a501e076bd30bdf827438b9ac016",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.41,
"b": 148.04,
"c": 64.12,
"alpha": 90.0,
"beta": 100.1,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.920,1.580],
"number_observations_unique": 270943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 37007,
"number_observations_unique": 10773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [37.920,7.070],
"number_observations": 5150,
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}