Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c83ce688a009152ea3c4e5d4805bbe5",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 84.781,
"b": 84.781,
"c": 260.380,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,1.730],
"number_observations": 686893,
"number_observations_unique": 99913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 34360,
"number_observations_unique": 4830,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.276
},
{
"type": "R(meas)",
"value": 1.377
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [49.330,9.480],
"number_observations": 4348,
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}