Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b0ba3ce02b067164386933607167955",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.638,
"b": 70.191,
"c": 105.893,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.690,1.550],
"number_observations_unique": 48946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 16904,
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.500
},
{
"type": "R(meas)",
"value": 2.669
},
{
"type": "R(pim)",
"value": 0.908
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [37.670,8.480],
"number_observations": 4398,
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}