Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02a31718f57a419057f67b9e57cf9e70",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.629,
"b": 71.629,
"c": 150.584,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.4770,1.390],
"number_observations": 1020572,
"number_observations_unique": 79748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 42212,
"number_observations_unique": 3809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.887
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [29.480,7.610],
"number_observations": 6971,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 78.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}