Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4855bd16a6c13c2a27e17ade472df13f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.745,
"b": 71.171,
"c": 71.798,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.48000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.810,1.690],
"number_observations": 409192,
"number_observations_unique": 35767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 12140,
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.028
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [46.810,8.960],
"number_observations": 3043,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}