Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd28de5ea538037b8150b56008c1426d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.28,
"b": 43.71,
"c": 72.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.370,1.740],
"number_observations": 196470,
"number_observations_unique": 13997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 13415,
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [72.370,7.780],
"number_observations": 1030,
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 63.700
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}