Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5be425a9f6cdf2e549807325341a6d39",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 99.63,
"b": 69.68,
"c": 67.69,
"alpha": 90.0,
"beta": 117.8,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.110,1.050],
"number_observations": 523518,
"number_observations_unique": 174657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 10961,
"number_observations_unique": 6548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 47.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [30.110,4.700],
"number_observations": 7001,
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}