Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2114dcd3cdf6ab98e1c7773d8e942cd7",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.317,
"b": 70.174,
"c": 85.160,
"alpha": 102.40,
"beta": 96.07,
"gamma": 112.75
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.220,1.890],
"number_observations": 307835,
"number_observations_unique": 92071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 12412,
"number_observations_unique": 4258,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.235
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.863
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [81.220,10.370],
"number_observations": 2253,
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}