Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bcfb50577134f0ae8425c4ff3a47dd2a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.351,
"b": 112.041,
"c": 69.116,
"alpha": 90.00,
"beta": 96.04,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.040,2.150],
"number_observations": 171723,
"number_observations_unique": 35486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.630,2.150],
"number_observations": 77762,
"number_observations_unique": 16102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [112.040,3.730],
"number_observations": 33116,
"number_observations_unique": 6894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}