Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1a710410d73314f5e67dc1e41460f9c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.035,
"b": 81.176,
"c": 104.146,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.020,1.350],
"number_observations": 437630,
"number_observations_unique": 80875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 19380,
"number_observations_unique": 3926,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.487
},
{
"type": "R(meas)",
"value": 1.668
},
{
"type": "R(pim)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.459
}
]
},
{
"resolution_limits": [38.020,7.390],
"number_observations": 3052,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}