Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edd0d0ae0240631d026fe6c6801d40c7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.857,
"b": 59.731,
"c": 51.596,
"alpha": 90.000,
"beta": 106.541,
"gamma": 90.000
},
"wavelengths": [1.00800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.74,2.10],
"number_observations_unique": 11990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.9198
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 2.86
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.10],
"number_observations": 2961,
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.31
},
{
"type": "I/SigI",
"value": 2.44
},
{
"type": "Completeness",
"value": 77.47
},
{
"type": "Redundancy",
"value": 2.09
}
]
},
{
"resolution_limits": [2.35,2.21],
"number_observations": 3859,
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.26
},
{
"type": "I/SigI",
"value": 2.79
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 2.41
}
]
},
{
"resolution_limits": [2.51,2.35],
"number_observations": 4390,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 3.00
},
{
"type": "Completeness",
"value": 97.97
},
{
"type": "Redundancy",
"value": 2.76
}
]
},
{
"resolution_limits": [2.71,2.51],
"number_observations": 4750,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.21
},
{
"type": "I/SigI",
"value": 3.28
},
{
"type": "Completeness",
"value": 98.68
},
{
"type": "Redundancy",
"value": 3.13
}
]
},
{
"resolution_limits": [2.97,2.71],
"number_observations": 4343,
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 5.25
},
{
"type": "Completeness",
"value": 98.83
},
{
"type": "Redundancy",
"value": 3.16
}
]
},
{
"resolution_limits": [3.32,2.97],
"number_observations": 3980,
"number_observations_unique": 1260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 7.92
},
{
"type": "Completeness",
"value": 99.15
},
{
"type": "Redundancy",
"value": 3.16
}
]
},
{
"resolution_limits": [3.83,3.32],
"number_observations": 3492,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 7.61
},
{
"type": "Completeness",
"value": 99.13
},
{
"type": "Redundancy",
"value": 3.16
}
]
},
{
"resolution_limits": [4.70,3.83],
"number_observations": 3007,
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 12.20
},
{
"type": "Completeness",
"value": 99.57
},
{
"type": "Redundancy",
"value": 3.12
}
]
},
{
"resolution_limits": [6.64,4.70],
"number_observations": 2308,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 13.12
},
{
"type": "Completeness",
"value": 99.65
},
{
"type": "Redundancy",
"value": 3.11
}
]
},
{
"resolution_limits": [59.74,6.64],
"number_observations": 1233,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 14.74
},
{
"type": "Completeness",
"value": 97.89
},
{
"type": "Redundancy",
"value": 2.99
}
]
}
]
}