Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c63b4519544dca58e43dd2935dffa0f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.646,
"b": 67.430,
"c": 138.520,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.560,1.780],
"number_observations": 417265,
"number_observations_unique": 61359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 24525,
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.804
},
{
"type": "R(meas)",
"value": 4.107
},
{
"type": "R(pim)",
"value": 1.537
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.397
}
]
},
{
"resolution_limits": [138.560,8.910],
"number_observations": 3280,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 43.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
}
]
}