Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8efc7aeb2725f9d25b9fa7b198eb7d4f",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 77.969,
"b": 55.557,
"c": 102.010,
"alpha": 90.00,
"beta": 102.24,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.160,2.980],
"number_observations": 57890,
"number_observations_unique": 17019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,2.980],
"number_observations": 9303,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 1.026
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [55.160,8.940],
"number_observations": 2054,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}