Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bb0857891b80c2ad9664272874d4a12",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 47.537,
"b": 50.310,
"c": 57.397,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.397,2.800],
"number_observations_unique": 3672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.95,2.80],
"number_observations": 3428,
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.13,2.95],
"number_observations": 3229,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [3.35,3.13],
"number_observations": 3034,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [3.61,3.35],
"number_observations": 2813,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [3.96,3.61],
"number_observations": 2566,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [4.43,3.96],
"number_observations": 2256,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [5.11,4.43],
"number_observations": 1973,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [6.26,5.11],
"number_observations": 1605,
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [8.85,6.26],
"number_observations": 1315,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [57.40,8.85],
"number_observations": 611,
"number_observations_unique": 134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 92.10
},
{
"type": "Redundancy",
"value": 4.60
}
]
}
]
}