Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87c0cac8693af46ad02f5250e1e2fd0f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.688,
"b": 79.546,
"c": 89.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.460,1.280],
"number_observations": 712651,
"number_observations_unique": 115880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.280],
"number_observations": 85150,
"number_observations_unique": 16711,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.532
},
{
"type": "R(meas)",
"value": 5.063
},
{
"type": "R(pim)",
"value": 2.228
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [59.460,4.040],
"number_observations": 24843,
"number_observations_unique": 3967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}