Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23077c498b1b5f2980b383b04724ecc4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.899,
"b": 56.799,
"c": 115.031,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.820,1.760],
"number_observations": 218723,
"number_observations_unique": 34543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 15140,
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.455
},
{
"type": "R(meas)",
"value": 1.592
},
{
"type": "R(pim)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [56.820,7.870],
"number_observations": 2809,
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}