Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31e2f1d1a5bbb4dd9fb0bb5e18233ed0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.020,
"b": 70.655,
"c": 82.412,
"alpha": 90.00,
"beta": 90.13,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.412,2.503],
"number_observations": 66696,
"number_observations_unique": 16309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.549,2.503],
"number_observations": 3256,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [82.412,6.869],
"number_observations": 3023,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}