Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5c2bec14c772f2d1d3ad4f154e9a149",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.56,
"b": 67.42,
"c": 40.18,
"alpha": 90.00,
"beta": 91.67,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.420,1.130],
"number_observations": 247297,
"number_observations_unique": 75372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.130],
"number_observations": 27680,
"number_observations_unique": 8366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [67.420,4.080],
"number_observations": 5688,
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}