Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77f2127cd2888fb627f73e8ffff1e278",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.473,
"b": 56.149,
"c": 72.431,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.430,1.770],
"number_observations": 146455,
"number_observations_unique": 17190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 7344,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.553
},
{
"type": "R(meas)",
"value": 3.791
},
{
"type": "R(pim)",
"value": 1.299
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [72.430,9.010],
"number_observations": 1118,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}