Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c216cf3d96478fb0306e203bbc4085b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.810,
"b": 56.326,
"c": 34.330,
"alpha": 90.00,
"beta": 112.08,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.400,1.350],
"number_observations": 174816,
"number_observations_unique": 25247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 8232,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [30.400,7.390],
"number_observations": 977,
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}