Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1eecdad4a62deb20f7f4a89c163dd15",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.301,
"b": 68.991,
"c": 57.223,
"alpha": 90.00,
"beta": 92.09,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.270,1.460],
"number_observations": 214022,
"number_observations_unique": 71602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.460],
"number_observations": 21449,
"number_observations_unique": 9987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 1.008
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [53.270,4.600],
"number_observations": 8010,
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}