Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "374d95ea2b89e0d18d97530a31314fc8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.229,
"b": 74.385,
"c": 95.345,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.190,1.450],
"number_observations": 256187,
"number_observations_unique": 46456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 12435,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.685
},
{
"type": "R(meas)",
"value": 1.863
},
{
"type": "R(pim)",
"value": 0.783
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
},
{
"resolution_limits": [37.190,7.950],
"number_observations": 1754,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 66.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}