Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f770091c26abc7f0e996e729eae7961",
"space_group_name": "P 1",
"unit_cell": {
"a": 29.336,
"b": 61.356,
"c": 62.824,
"alpha": 102.84,
"beta": 91.66,
"gamma": 90.02
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.520,1.800],
"number_observations": 150520,
"number_observations_unique": 38416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6832,
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.928
},
{
"type": "R(meas)",
"value": 1.089
},
{
"type": "R(pim)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [48.520,8.990],
"number_observations": 1142,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}