Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c72f2c94ac0e80279a013d7eb91d22b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.69,
"b": 68.06,
"c": 266.83,
"alpha": 90.00,
"beta": 95.94,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97942],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.814,2.00],
"number_observations_unique": 138837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.380
},
{
"type": "Completeness",
"value": 84.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 5368,
"number_observations_unique": 12737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 41.90
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 7970,
"number_observations_unique": 16660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 55.30
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 13005,
"number_observations_unique": 24091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 75.40
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 20920,
"number_observations_unique": 29732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.60
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 22565,
"number_observations_unique": 30167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 95.90
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 22541,
"number_observations_unique": 29400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 96.70
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 23833,
"number_observations_unique": 30736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 96.40
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 23314,
"number_observations_unique": 29912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 97.00
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 23186,
"number_observations_unique": 29921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [29.814,4.30],
"number_observations": 23505,
"number_observations_unique": 29561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 94.60
}
]
}
]
}