Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14b4b5528a1fae9c452079df68af4c05",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.81,
"b": 152.97,
"c": 92.22,
"alpha": 90.00,
"beta": 114.42,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.620,3.000],
"number_observations": 141679,
"number_observations_unique": 41938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.086
},
{
"type": "R(meas)",
"value": 1.291
},
{
"type": "R(pim)",
"value": 0.692
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [27.620,13.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}