Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6afd91d8c2d0747480539d86cefa6844",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.45,
"b": 60.45,
"c": 65.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.310,1.640],
"number_observations": 150815,
"number_observations_unique": 23993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 9356,
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.381
},
{
"type": "R(pim)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [44.310,7.330],
"number_observations": 1764,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}