Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "599602b8cba7b53e588d9e6df9637b53",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.370,
"b": 90.488,
"c": 86.496,
"alpha": 90.00,
"beta": 122.09,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.440,1.850],
"number_observations_unique": 81970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 22596,
"number_observations_unique": 4465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.967
},
{
"type": "R(meas)",
"value": 1.079
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [24.420,9.610],
"number_observations": 4235,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}