Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d89cd7e155280fb3af86b01503842b60",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.909,
"b": 68.174,
"c": 90.641,
"alpha": 70.79,
"beta": 79.22,
"gamma": 66.21
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.150,1.670],
"number_observations": 430702,
"number_observations_unique": 127289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 19089,
"number_observations_unique": 6168,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.496
},
{
"type": "R(meas)",
"value": 1.811
},
{
"type": "R(pim)",
"value": 1.011
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.302
}
]
},
{
"resolution_limits": [48.150,9.150],
"number_observations": 2754,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}