Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "128f800d4b84546c88a1e8ecbc352215",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.226,
"b": 71.226,
"c": 196.058,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.27,2.30],
"number_observations": 491371,
"number_observations_unique": 23427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.0
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 47958,
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.282
},
{
"type": "R(meas)",
"value": 5.498
},
{
"type": "R(pim)",
"value": 1.180
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.400
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [71.270,8.910],
"number_observations": 7865,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}