Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "225767cb267b5062ba5e9bef9e4b45ae",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.381,
"b": 107.989,
"c": 80.929,
"alpha": 90.00,
"beta": 98.61,
"gamma": 90.00
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.770,2.350],
"number_observations": 132573,
"number_observations_unique": 35978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 11672,
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.156
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [39.770,9.100],
"number_observations": 2360,
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}