Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4626528a49b36a2414c50a2bc6df51fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 184.85,
"b": 104.20,
"c": 296.65,
"alpha": 90.00,
"beta": 98.42,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [123.620,3.340],
"number_observations": 668766,
"number_observations_unique": 162121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.430,3.340],
"number_observations": 50124,
"number_observations_unique": 11966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [123.620,14.940],
"number_observations": 6614,
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}