Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3842d3438bcd639f027a24ef0b2ddc5e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.614,
"b": 51.248,
"c": 78.797,
"alpha": 90.00,
"beta": 93.92,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.930,1.770],
"number_observations": 226398,
"number_observations_unique": 30504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 10243,
"number_observations_unique": 1553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.879
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [42.930,9.040],
"number_observations": 1622,
"number_observations_unique": 256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}