Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d57b87ba17b53f68af00c63e9d575866",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.98,
"b": 109.24,
"c": 112.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.250,1.840],
"number_observations": 571871,
"number_observations_unique": 85835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 42736,
"number_observations_unique": 6279,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.552
},
{
"type": "R(meas)",
"value": 2.763
},
{
"type": "R(pim)",
"value": 1.054
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.297
}
]
},
{
"resolution_limits": [78.250,8.230],
"number_observations": 7048,
"number_observations_unique": 1098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}