Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "453a639e7488e2baf4220cb8a1b237d6",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 70.369,
"b": 70.369,
"c": 186.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.63,1.800],
"number_observations_unique": 44460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 30563,
"number_observations_unique": 2572,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.534
},
{
"type": "R(meas)",
"value": 3.693
},
{
"type": "R(pim)",
"value": 1.060
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.498
}
]
},
{
"resolution_limits": [46.590,9.000],
"number_observations": 4272,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}