Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b822dff6271b68d2d78b0609eda1bab2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 69.961,
"b": 216.083,
"c": 274.283,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.04400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.370,2.197],
"number_observations_unique": 105875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.197],
"number_observations_unique": 4975,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.167
},
{
"type": "R(meas)",
"value": 1.256
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [49.370,12.030],
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}