Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3681a35ec4dfc7cfdde167ba826b70ad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.31,
"b": 70.41,
"c": 68.70,
"alpha": 90.00,
"beta": 118.04,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.600,1.300],
"number_observations": 280034,
"number_observations_unique": 103325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 14639,
"number_observations_unique": 7306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [30.600,5.810],
"number_observations": 3345,
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}