Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "568d8666afbe1e64a1b48f8194c599f8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.901,
"b": 72.355,
"c": 107.334,
"alpha": 90.00,
"beta": 99.87,
"gamma": 90.00
},
"wavelengths": [1.03000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.020,2.700],
"number_observations": 254208,
"number_observations_unique": 33593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.700],
"number_observations": 32911,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.268
},
{
"type": "R(pim)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [48.020,8.970],
"number_observations": 6569,
"number_observations_unique": 969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}