Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dd68183623c7014f32894d546dd1c20",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.032,
"b": 57.722,
"c": 61.907,
"alpha": 90.00,
"beta": 99.57,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.050,1.680],
"number_observations": 539586,
"number_observations_unique": 39007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 28430,
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.671
},
{
"type": "R(meas)",
"value": 4.844
},
{
"type": "R(pim)",
"value": 1.274
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.238
}
]
},
{
"resolution_limits": [61.050,9.050],
"number_observations": 3466,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 53.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}