Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ea86ca2dcabde1833e4a435af828561",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.685,
"b": 64.295,
"c": 74.604,
"alpha": 90.0,
"beta": 125.8,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.730,2.110],
"number_observations": 108242,
"number_observations_unique": 26047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 8099,
"number_observations_unique": 1973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [47.730,8.940],
"number_observations": 1344,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}