Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15064810927ced1cd52fcacb078deede",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.393,
"b": 95.393,
"c": 45.858,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.440,1.330],
"number_observations": 551574,
"number_observations_unique": 46243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 11539,
"number_observations_unique": 1844,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.308
},
{
"type": "R(meas)",
"value": 1.442
},
{
"type": "R(pim)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [67.440,7.280],
"number_observations": 3823,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 86.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}