Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c04a7c86d5bc01161198f44b5729ed7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.68,
"b": 79.51,
"c": 89.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.840,1.320],
"number_observations": 680452,
"number_observations_unique": 105760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.320],
"number_observations": 42277,
"number_observations_unique": 7738,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.684
},
{
"type": "R(meas)",
"value": 1.865
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.410
}
]
},
{
"resolution_limits": [44.840,5.900],
"number_observations": 8360,
"number_observations_unique": 1336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}