Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8553d1cc5b1c67a3417df77fce762fd0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.034,
"b": 111.349,
"c": 164.768,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.100,1.7969],
"number_observations_unique": 171436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 45632,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.680
},
{
"type": "R(meas)",
"value": 5.956
},
{
"type": "R(pim)",
"value": 1.756
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [39.100,9.680],
"number_observations": 7646,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 58.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}