Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b8a7b3b6db0b941f645c291746214c6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.71,
"b": 78.68,
"c": 89.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.820,1.450],
"number_observations": 518571,
"number_observations_unique": 79285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 38940,
"number_observations_unique": 5793,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.984
},
{
"type": "R(meas)",
"value": 2.150
},
{
"type": "R(pim)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [44.820,6.480],
"number_observations": 6535,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}