Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d6363832a352ec3ac643ec7ee94c302",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.828,
"b": 64.305,
"c": 74.500,
"alpha": 90.00,
"beta": 125.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.140],
"number_observations": 104041,
"number_observations_unique": 25033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 8278,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.759
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [48.640,9.080],
"number_observations": 1262,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}