Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06e7b40fe928576a2655dff20f1c8078",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.150,
"b": 47.198,
"c": 46.387,
"alpha": 90.00,
"beta": 103.24,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.150,1.390],
"number_observations": 71235,
"number_observations_unique": 21369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 3428,
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.189
},
{
"type": "R(meas)",
"value": 2.611
},
{
"type": "R(pim)",
"value": 1.402
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.336
}
]
},
{
"resolution_limits": [45.150,7.610],
"number_observations": 492,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}