Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b1555bed2912be9813bc87a3b249090",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.343,
"b": 63.988,
"c": 74.692,
"alpha": 90.00,
"beta": 125.85,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.690,1.980],
"number_observations": 127501,
"number_observations_unique": 31212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.980],
"number_observations": 8219,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [34.690,9.060],
"number_observations": 1223,
"number_observations_unique": 332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}