Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "017bd5c9608fab748657684624808b6a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.168,
"b": 56.355,
"c": 101.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.400,1.470],
"number_observations": 321457,
"number_observations_unique": 50738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.470],
"number_observations": 39733,
"number_observations_unique": 6238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [21.400,5.090],
"number_observations": 9399,
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}