Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "575d752c1c3c0753f1649b1628df0173",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.404,
"b": 98.905,
"c": 87.464,
"alpha": 90.00,
"beta": 108.97,
"gamma": 90.00
},
"wavelengths": [0.97855],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.900,2.310],
"number_observations": 182440,
"number_observations_unique": 49735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.310],
"number_observations": 13131,
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.130
},
{
"type": "R(meas)",
"value": 1.368
},
{
"type": "R(pim)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.391
}
]
},
{
"resolution_limits": [98.900,9.250],
"number_observations": 2455,
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}