Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "636706f3e47891970fb57840f7acd995",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.23,
"b": 29.87,
"c": 97.89,
"alpha": 90.00,
"beta": 102.12,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.710,1.780],
"number_observations": 245359,
"number_observations_unique": 35385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 12001,
"number_observations_unique": 1858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [34.710,9.050],
"number_observations": 1917,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}