Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4e1d54c0c17f711af49e09dead345c7",
"space_group_name": "P 1",
"unit_cell": {
"a": 56.405,
"b": 56.734,
"c": 65.852,
"alpha": 102.34,
"beta": 110.26,
"gamma": 93.21
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.860,2.050],
"number_observations": 76615,
"number_observations_unique": 35104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 75.500
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.050],
"number_observations": 3008,
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 27.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [54.860,6.480],
"number_observations": 3349,
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}