Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8da663c4c492f76fb4d438c0377fcf34",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 27.180,
"b": 66.346,
"c": 71.216,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.220,1.900],
"number_observations": 19653,
"number_observations_unique": 10748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 1299,
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [71.220,9.090],
"number_observations": 182,
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}