Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "821b183e0fd5e3efdb198f8fdeab95ac",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.82,
"b": 67.82,
"c": 167.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.050,1.900],
"number_observations": 169184,
"number_observations_unique": 18806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11023,
"number_observations_unique": 1173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "R(meas)",
"value": 1.007
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [34.050,9.110],
"number_observations": 1459,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 64.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}