Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dccd2c5db6be1c6a9bcccaac9ac36da0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.034,
"b": 69.297,
"c": 57.434,
"alpha": 90.00,
"beta": 92.29,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.000,1.750],
"number_observations": 297934,
"number_observations_unique": 42767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 15574,
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.579
},
{
"type": "R(meas)",
"value": 10.391
},
{
"type": "R(pim)",
"value": 3.998
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
},
{
"resolution_limits": [54.000,8.920],
"number_observations": 2060,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}