Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0eb16b5050c896f9a2793dde47928f9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.096,
"b": 64.414,
"c": 74.686,
"alpha": 90.00,
"beta": 126.12,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.630,1.770],
"number_observations": 167788,
"number_observations_unique": 40888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 5447,
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 57.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [34.630,9.020],
"number_observations": 1240,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}