Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43d6bfd0e3b1a55ddf4399edd022ae94",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.447,
"b": 70.058,
"c": 91.598,
"alpha": 90.00,
"beta": 102.58,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.020,2.000],
"number_observations": 289114,
"number_observations_unique": 43862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 23085,
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [38.020,8.940],
"number_observations": 3259,
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}