Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f904f5445adf68395ea42229303e0eb9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.460,
"b": 34.960,
"c": 37.827,
"alpha": 90.00,
"beta": 92.74,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.784,1.150],
"number_observations_unique": 34714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 7640,
"number_observations_unique": 1668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [37.780,6.300],
"number_observations": 1210,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}