Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7040cbecc8feb838b25b4cd65d0ae3a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.904,
"b": 102.048,
"c": 145.932,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,1.810],
"number_observations": 389911,
"number_observations_unique": 60223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 20538,
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.827
},
{
"type": "R(meas)",
"value": 2.000
},
{
"type": "R(pim)",
"value": 0.799
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [48.640,9.070],
"number_observations": 3424,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}