Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40bd33f18d01f2654e1ae2f8889083f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.619,
"b": 31.446,
"c": 61.288,
"alpha": 90.00,
"beta": 92.48,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.570,1.589],
"number_observations_unique": 27020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.617,1.589],
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.881
},
{
"type": "R(meas)",
"value": 2.107
},
{
"type": "R(pim)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 86.1
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [52.570,4.314],
"number_observations_unique": 1457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}