Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5c2ae835369743115298525a89c904b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.30,
"b": 27.66,
"c": 56.89,
"alpha": 90.0,
"beta": 100.6,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.920,1.050],
"number_observations": 117044,
"number_observations_unique": 42724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 179,
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 5.800
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [55.920,5.750],
"number_observations": 1133,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}