Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdac9df7a44b066524fc10f9dce4458c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.515,
"b": 57.093,
"c": 114.840,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.420,1.950],
"number_observations": 165195,
"number_observations_unique": 25255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.950],
"number_observations": 24577,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.038
},
{
"type": "R(meas)",
"value": 1.124
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [57.420,6.160],
"number_observations": 5165,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}