Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d67263704bd2ce65564130d6649ba869",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.479,
"b": 45.249,
"c": 83.148,
"alpha": 90.00,
"beta": 102.41,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.350,1.830],
"number_observations": 138034,
"number_observations_unique": 40442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 9959,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [28.350,8.180],
"number_observations": 1660,
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}