Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "995f1b7524fe4557db61bf5ff7fcaefb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 33.062,
"b": 56.525,
"c": 34.536,
"alpha": 90.00,
"beta": 112.94,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.450,1.350],
"number_observations": 176011,
"number_observations_unique": 25483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 8671,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [30.450,7.390],
"number_observations": 534,
"number_observations_unique": 125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 74.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}