Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9e4b1a491652b69c4ac8c71718e440a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.906,
"b": 53.346,
"c": 147.084,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.030,1.700],
"number_observations": 177534,
"number_observations_unique": 30049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 3709,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.948
},
{
"type": "R(meas)",
"value": 1.104
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 63.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [49.030,8.970],
"number_observations": 1398,
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}