Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80f06981891e8714dbb73a16bc9e692b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.814,
"b": 56.852,
"c": 114.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.430,1.580],
"number_observations": 309580,
"number_observations_unique": 47304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 22315,
"number_observations_unique": 3378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.905
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [28.430,7.060],
"number_observations": 3696,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}