Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0e4112418e6fb943ce9531a7e7b9b76",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.579,
"b": 56.600,
"c": 101.985,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.680],
"number_observations": 248977,
"number_observations_unique": 37393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 18371,
"number_observations_unique": 2706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.842
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [29.140,7.510],
"number_observations": 3009,
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 79.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}