Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fa92d3465682510c42c867b9009d661",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.178,
"b": 51.350,
"c": 78.911,
"alpha": 90.00,
"beta": 92.11,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.150,1.790],
"number_observations": 247738,
"number_observations_unique": 33670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 13258,
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [44.150,9.110],
"number_observations": 1944,
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}