Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a52725edb586f302138b47f19ae44eb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.74,
"b": 57.49,
"c": 127.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.6150,1.540],
"number_observations_unique": 53765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 17.720
},
{
"type": "Completeness",
"value": 100.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 28711,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations": 28540,
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 27948,
"number_observations_unique": 3718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations": 27161,
"number_observations_unique": 3590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.780,1.720],
"number_observations": 26817,
"number_observations_unique": 3504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.840,1.780],
"number_observations": 26306,
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.910,1.840],
"number_observations": 25554,
"number_observations_unique": 3272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.990,1.910],
"number_observations": 24796,
"number_observations_unique": 3170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.080,1.990],
"number_observations": 23959,
"number_observations_unique": 3025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.180,2.080],
"number_observations": 22990,
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 22.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.300,2.180],
"number_observations": 22080,
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.430,2.300],
"number_observations": 20964,
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.600,2.430],
"number_observations": 19487,
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.810,2.600],
"number_observations": 18191,
"number_observations_unique": 2316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.080,2.810],
"number_observations": 16592,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 32.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.440,3.080],
"number_observations": 14755,
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.980,3.440],
"number_observations": 12783,
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.870,3.980],
"number_observations": 11188,
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 38.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.890,4.870],
"number_observations": 8796,
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 37.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [63.6150,6.890],
"number_observations": 4642,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 36.8
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}