Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "196078439b66b6157205cfe6734fe8d2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.972,
"b": 57.220,
"c": 115.309,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.970,1.400],
"number_observations": 423193,
"number_observations_unique": 68529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 25867,
"number_observations_unique": 4992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.445
},
{
"type": "R(meas)",
"value": 1.608
},
{
"type": "R(pim)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [51.970,6.260],
"number_observations": 5340,
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 61.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}