Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a51841fbe5d6e076f15ebe0a1b3e8ab9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.389,
"b": 118.935,
"c": 60.300,
"alpha": 90.000,
"beta": 109.421,
"gamma": 90.000
},
"wavelengths": [1.12000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.470,2.070],
"number_observations": 127837,
"number_observations_unique": 35893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 8878,
"number_observations_unique": 2666,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.011
},
{
"type": "R(meas)",
"value": 1.207
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
},
{
"resolution_limits": [59.470,9.260],
"number_observations": 1497,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}