Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c9dce4bf4971c7f6c1fa54a04010673",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.651,
"b": 56.618,
"c": 101.840,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.520,1.480],
"number_observations": 327917,
"number_observations_unique": 54310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.480],
"number_observations": 40441,
"number_observations_unique": 6566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [21.520,5.130],
"number_observations": 9524,
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}