Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72cb0aac7d7c3a0d6fd45afcd6546e9d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.074,
"b": 52.597,
"c": 44.389,
"alpha": 90.00,
"beta": 102.86,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.720,1.810],
"number_observations": 82755,
"number_observations_unique": 23048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 4626,
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.400
},
{
"type": "R(meas)",
"value": 1.658
},
{
"type": "R(pim)",
"value": 0.876
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.376
}
]
},
{
"resolution_limits": [54.720,9.050],
"number_observations": 772,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}