Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8b81e1277782aabd1922fc8158fb9e2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.965,
"b": 164.791,
"c": 143.965,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [0.91840,1.48253,1.89289],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.01,1.58],
"number_observations_unique": 583936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1064
},
{
"type": "R(meas)",
"value": 0.1318
},
{
"type": "R(pim)",
"value": 0.07673
},
{
"type": "I/SigI",
"value": 4.66
},
{
"type": "Completeness",
"value": 92.89
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.636,1.58],
"number_observations_unique": 53686,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.191
},
{
"type": "R(meas)",
"value": 1.506
},
{
"type": "R(pim)",
"value": 0.9081
},
{
"type": "I/SigI",
"value": 0.56
},
{
"type": "Completeness",
"value": 85.24
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.256
}
]
},
{
"resolution_limits": [2.23,2.2],
"number_observations_unique": 20432,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.08
},
{
"type": "R(meas)",
"value": 1.268
},
{
"type": "R(pim)",
"value": 0.6593
},
{
"type": "I/SigI",
"value": 1.07
},
{
"type": "Completeness",
"value": 94.66
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.473
}
]
},
{
"resolution_limits": [2.73,2.7],
"number_observations_unique": 10377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9216
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.5616
},
{
"type": "I/SigI",
"value": 0.89
},
{
"type": "Completeness",
"value": 94.07
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
}
]
}