Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f681fa1eaecac8add863732a95043ab4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.354,
"b": 51.430,
"c": 79.460,
"alpha": 90.00,
"beta": 92.13,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.3230,1.670],
"number_observations_unique": 40980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 8569,
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 62.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [44.320,8.990],
"number_observations": 1855,
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}