Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa1e3c4546771ef9c3a3fe4903c359a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.745,
"b": 154.022,
"c": 109.190,
"alpha": 90.00,
"beta": 90.49,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.140,2.049],
"number_observations_unique": 112052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.050],
"number_observations": 16874,
"number_observations_unique": 5296,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.518
},
{
"type": "R(meas)",
"value": 1.813
},
{
"type": "R(pim)",
"value": 0.983
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [39.140,11.220],
"number_observations": 2491,
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}